Benzene, 1-(isothiocyanatomethyl)-4-methyl-
Names
[ CAS No. ]:
3694-46-0
[ Name ]:
Benzene, 1-(isothiocyanatomethyl)-4-methyl-
[Synonym ]:
1-(isothiocyanatomethyl)-4-methylbenzene
MFCD00041118
Chemical & Physical Properties
[ Density]:
1.08
[ Boiling Point ]:
97 °C
[ Molecular Formula ]:
C9H9NS
[ Molecular Weight ]:
163.23900
[ Flash Point ]:
97°C/1mm
[ Exact Mass ]:
163.04600
[ PSA ]:
44.45000
[ LogP ]:
2.59780
[ Index of Refraction ]:
1.5890
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX8860000
- CHEMICAL NAME :
- Isothiocyanic acid, p-methylbenzyl ester
- CAS REGISTRY NUMBER :
- 3694-46-0
- BEILSTEIN REFERENCE NO. :
- 2082478
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C9-H9-N-S
- MOLECULAR WEIGHT :
- 163.25
- WISWESSER LINE NOTATION :
- SCN1R D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02695
Safety Information
[ Risk Phrases ]:
R20/21/22;R36/37/38
[ Safety Phrases ]:
S26-S36/37/39
[ RIDADR ]:
2810
[ RTECS ]:
NX8860000
[ Packaging Group ]:
III
[ HS Code ]:
2930909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%