2-Amino-5-bromobenzoic acid
Names
[ CAS No. ]:
5794-88-7
[ Name ]:
2-Amino-5-bromobenzoic acid
[Synonym ]:
2-amino-5-bromo-benzoicaci
Anthranilic acid,5-bromo
2-Amino-5-bromobenzoic acid
5-Bromoantharanilic Acid
EINECS 227-338-3
5-bromo-anthranilicaci
2-Amino-5-bromobenzoic
Benzoic acid, 2-amino-5-bromo-
RARECHEM AL BO 1183
5-Bromo-2-aminobenzoic acid
BUTTPARK 89 7-49
MFCD00007823
2-Amino-5-bromo-benzoic acid
Anthranilic acid, 5-bromo-
5-Bromoanthranilic Acid
2-amino-5-bromobrnzoic acid
Chemical & Physical Properties
[ Density]:
1.8±0.1 g/cm3
[ Boiling Point ]:
342.4±32.0 °C at 760 mmHg
[ Melting Point ]:
213-215 °C(lit.)
[ Molecular Formula ]:
C7H6BrNO2
[ Molecular Weight ]:
216.032
[ Flash Point ]:
160.9±25.1 °C
[ Exact Mass ]:
214.958176
[ PSA ]:
63.32000
[ LogP ]:
2.37
[ Vapour Pressure ]:
0.0±0.8 mmHg at 25°C
[ Index of Refraction ]:
1.672
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- CB2557670
- CHEMICAL NAME :
- Anthranilic acid, 5-bromo-
- CAS REGISTRY NUMBER :
- 5794-88-7
- BEILSTEIN REFERENCE NO. :
- 0639028
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H6-Br-N-O2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD - Lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >500 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,12,1953
Safety Information
[ Symbol ]:
GHS06
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H301-H315-H319-H335
[ Precautionary Statements ]:
P261-P301 + P310-P305 + P351 + P338
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves
[ Hazard Codes ]:
Xn:Harmful
[ Risk Phrases ]:
R22;R36/37/38
[ Safety Phrases ]:
S26-S36/37-S36/37/39
[ RIDADR ]:
UN 2811 6.1/PG 3
[ WGK Germany ]:
3
[ RTECS ]:
CB2557670
[ Hazard Class ]:
6.1
[ HS Code ]:
2942000000
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2922499990
[ Summary ]:
HS:2922499990 other amino-acids, other than those containing more than one kind of oxygen function, and their esters; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:6.5% General tariff:30.0%
Articles
Bioorg. Med. Chem. 18 , 7078-84, (2010)
Solubility plays a very important role in the selection of compounds for drug screening. In this context, a QSAR model was developed for predicting water solubility of drug-like compounds. First, a se...