1H-Pyrrolo[2,3-d]pyrimidin-4-amin

Modify Date: 2024-01-02 14:50:42

1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure
1H-Pyrrolo[2,3-d]pyrimidin-4-amin structure
Common Name 1H-Pyrrolo[2,3-d]pyrimidin-4-amin
CAS Number 1500-85-2 Molecular Weight 134.139
Density 1.5±0.1 g/cm3 Boiling Point 399.8ºC at 760mmHg
Molecular Formula C6H6N4 Melting Point 257-262℃
MSDS N/A Flash Point 224.4ºC

 Names

Name 4-Amino-7H-pyrrolo[2,3-d]pyrimidine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.5±0.1 g/cm3
Boiling Point 399.8ºC at 760mmHg
Melting Point 257-262℃
Molecular Formula C6H6N4
Molecular Weight 134.139
Flash Point 224.4ºC
Exact Mass 134.059250
PSA 67.59000
LogP 0.38
Vapour Pressure 1.33E-06mmHg at 25°C
Index of Refraction 1.806

 MSDS


Section1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name: 6-Amino-7-deazapurine
CAS-No.: 1500-85-2
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances



Section2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 3)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Toxic if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal wordDanger
Hazard statement(s)
H301Toxic if swallowed.
Precautionary statement(s)
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R25Toxic if swallowed.
S-phrase(s)
S45In case of accident or if you feel unwell, seek medical advice immediately
(show the label where possible).
Other hazards - none

Section3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula: C6H6N4
Molecular Weight: 134,14 g/mol
ComponentConcentration
6-Amino-7-deazapurine
CAS-No.1500-85-2-

Section4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Indication of any immediate medical attention and special treatment needed
no data available

Section5. FIRE-FIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
no data available
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

Section7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Heat-, light-, and moisture-sensitive. Handle under nitrogen, protect from moisture. Store under nitrogen.
Specific end uses
no data available

Section8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such as
NIOSH (US) or CEN (EU).

Section9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) AppearanceForm: solid
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 257 - 262 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evaporation rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour density4,63 - (Air = 1.0)
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 0,193
octanol/water
p) Autoignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

Section10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

Section11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
InhalationMay be harmful if inhaled. May cause respiratory tract irritation.
IngestionToxic if swallowed.
SkinMay be harmful if absorbed through skin. May cause skin irritation.
EyesMay cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: UY8850000

Section12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section14. TRANSPORT INFORMATION
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (6-Amino-7-deazapurine)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. (6-Amino-7-deazapurine)
IATA:Toxic solid, organic, n.o.s. (6-Amino-7-deazapurine)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

Section15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment
no data available

Section16. OTHER INFORMATION
Further information
Copyright 2011 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Co., shall not be held liable for any damage
resulting from handling or from contact with the above product. See reverse side of invoice or packing slip
for additional terms and conditions of sale.

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY8850000
CHEMICAL NAME :
7H-Pyrrolo(2,3-d)pyrimidine, 4-amino-
CAS REGISTRY NUMBER :
1500-85-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H6-N4
MOLECULAR WEIGHT :
134.16

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
GANNA2 Gann. Japanese Journal of Cancer Research. (Tokyo, Japan) V.1-75, 1907-84. For publisher information, see JJCREP. Volume(issue)/page/year: 56,219,1965

 Safety Information

Hazard Codes T
Risk Phrases 25
Safety Phrases 45
RIDADR UN 2811 6.1/PG 1
RTECS UY8850000
HS Code 2933990090

 Synthetic Route

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Jung, Myung-Ho; Kim, Hwan; Choi, Won-Kyoung; El-Gamal, Mohammed I.; Park, Jin-Hun; Yoo, Kyung Ho; Sim, Tae Bo; Lee, So Ha; Baek, Daejin; Hah, Jung-Mi; Cho, Jung-Hyuck; Oh, Chang-Hyun Bioorganic and Medicinal Chemistry Letters, 2009 , vol. 19, # 23 p. 6538 - 6543

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Klecka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal Organic and Biomolecular Chemistry, 2013 , vol. 11, # 31 p. 5189 - 5193

~81%

1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Maiti, Munmun; Michielssens, Servaas; Dyubankova, Natalia; Maiti, Mohitosh; Lescrinier, Eveline; Ceulemans, Arnout; Herdewijn, Piet Chemistry - A European Journal, 2012 , vol. 18, # 3 p. 857 - 868

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Winkeler; Seela Chemische Berichte, 1980 , vol. 113, # 6 p. 2069 - 2080

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Chemische Berichte, , vol. 113, # 6 p. 2069 - 2080

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 525 - 530

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1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Chemische Berichte, , vol. 113, # 6 p. 2069 - 2080

~%

1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Chemische Berichte, , vol. 113, # 6 p. 2069 - 2080

~%

1H-Pyrrolo[2,3-d]pyrimidin-4-amin Structure

1H-Pyrrolo[2,3-...

CAS#:1500-85-2

Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 525 - 530

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

6-Amino-7-deazapurine
1H-Pyrrolo[2,3-d]pyrimidin-4-amin
3H-pyrrolo[2,3-d]pyrimidin-4-amine
MFCD01686848
7H-Pyrrolo[2,3-d]pyrimidin-4-amine
1H-Pyrrolo[2,3-d]pyrimidin-4-amine
4-aminopyrrolo[2,3-d]pyrimidine
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