4-Methylphenyl isothiocyanate
Names
[ CAS No. ]:
622-59-3
[ Name ]:
4-Methylphenyl isothiocyanate
[Synonym ]:
1-isothiocyanato-4-methylbenzene
MFCD00004813
EINECS 210-745-5
Chemical & Physical Properties
[ Density]:
1.02 g/cm3
[ Boiling Point ]:
237 °C(lit.)
[ Melting Point ]:
25-26 °C(lit.)
[ Molecular Formula ]:
C8H7NS
[ Molecular Weight ]:
149.21300
[ Flash Point ]:
107 °C
[ Exact Mass ]:
149.03000
[ PSA ]:
44.45000
[ LogP ]:
2.72930
[ Index of Refraction ]:
n20/D 1.6345(lit.)
[ Water Solubility ]:
MAY DECOMPOSE
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- NX9500000
- CHEMICAL NAME :
- Isothiocyanic acid, 4-tolyl ester
- CAS REGISTRY NUMBER :
- 622-59-3
- BEILSTEIN REFERENCE NO. :
- 0386032
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H7-N-S
- MOLECULAR WEIGHT :
- 149.22
- WISWESSER LINE NOTATION :
- SCNR D1
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 150 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 16,870,1966
Safety Information
[ Symbol ]:
GHS07, GHS08
[ Signal Word ]:
Danger
[ Hazard Statements ]:
H315-H317-H319-H334-H335
[ Precautionary Statements ]:
P261-P280-P305 + P351 + P338-P342 + P311
[ Personal Protective Equipment ]:
dust mask type N95 (US);Eyeshields;Faceshields;Gloves
[ Hazard Codes ]:
T:Toxic;Xn:Harmful;
[ Risk Phrases ]:
R23/24/25;R36/37/38;R42/43
[ Safety Phrases ]:
S22-S26-S36-S45-S36/37/39
[ RIDADR ]:
UN 2811 6.1/PG 2
[ WGK Germany ]:
3
[ RTECS ]:
NX9500000
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ 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%
Articles
J. Org. Chem. 70(26) , 10875-8, (2005)
[structure: see text] The synthesis and UV-vis and NMR spectroscopic studies of thiourea-based colorimetric sensors for anions are presented. These sensors can recognize anions through hydrogen bindin...
Synthesis of N-(purin-8-yl)arylamines.Chem. Res. Toxicol. 6(4) , 480-5, (1993)
Methods for direct synthesis of N-(purin-8-yl)arylamines were investigated. N-(Purin-8-yl)arylamines are adducts from reaction of electrophilic metabolites of arylamines with DNA and have not been rea...
Polypeptide end-capping using functionalized isocyanates: preparation of pentablock copolymers. Brzezinska KR, et al.Macromolecules 35(8) , 2970-76, (2002)