2,4-dinitrophenyl thiocyanate

Modify Date: 2024-01-04 22:57:31

2,4-dinitrophenyl thiocyanate Structure
2,4-dinitrophenyl thiocyanate structure
Common Name 2,4-dinitrophenyl thiocyanate
CAS Number 1594-56-5 Molecular Weight 225.18100
Density 1.62g/cm3 Boiling Point 368.4ºC at 760 mmHg
Molecular Formula C7H3N3O4S Melting Point 138-140°C
MSDS N/A Flash Point N/A

 Names

Name 2,4-dinitro-1-thiocyanatobenzene
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.62g/cm3
Boiling Point 368.4ºC at 760 mmHg
Melting Point 138-140°C
Molecular Formula C7H3N3O4S
Molecular Weight 225.18100
Exact Mass 224.98400
PSA 140.73000
LogP 3.12258
Vapour Pressure 1.28E-05mmHg at 25°C
Index of Refraction 1.666

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XK9450000
CHEMICAL NAME :
Thiocyanic acid, 2,4-dinitrophenyl ester
CAS REGISTRY NUMBER :
1594-56-5
BEILSTEIN REFERENCE NO. :
1983292
LAST UPDATED :
199710
DATA ITEMS CITED :
15
MOLECULAR FORMULA :
C7-H3-N3-O4-S
MOLECULAR WEIGHT :
225.19
WISWESSER LINE NOTATION :
WNR CNW DSCN

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
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
30 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2750 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
51 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
1650 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Cytogenetic analysis
TEST SYSTEM :
Rodent - hamster Lung
DOSE/DURATION :
10 umol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 78,177,1980 *** OCCUPATIONAL EXPOSURE LIMITS *** OEL-HUNGARY:TWA 2 mg/m3;STEL 10 mg/m3 JAN 1993

 Safety Information

Risk Phrases R32;R36/37/38
Safety Phrases S26-S36/37/39
RTECS XK9450000
Packaging Group III
HS Code 2930909090

 Synthetic Route

 Customs

HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

 Synonyms

EINECS 216-477-5
MFCD00047702
(2,4-dinitrophenyl) thiocyanate
2,4-Dinitrophenyl Thiocyanate
2,4-Dinitrophenylrhodanide
Thiocyanic Acid 2,4-Dinitrophenyl Ester