1,3-Dichloro-2-isothiocyanatobenzene

Names

[ CAS No. ]:
6590-95-0

[ Name ]:
1,3-Dichloro-2-isothiocyanatobenzene

[Synonym ]:
MFCD00041056
2,6-dichlorophenyl isothiocyanate

Chemical & Physical Properties

[ Density]:
1.37g/cm3

[ Boiling Point ]:
122-124°C 8mm

[ Melting Point ]:
38-42 °C(lit.)

[ Molecular Formula ]:
C₇H₃Cl₂NS

[ Molecular Weight ]:
204.07600

[ Flash Point ]:
>230 °F

[ Exact Mass ]:
202.93600

[ PSA ]:
44.45000

[ LogP ]:
3.72770

[ Index of Refraction ]:
1.614

[ Storage condition ]:
2-8°C

MSDS

Click to get detail MSDS

Safety Information

[ Symbol ]:

GHS05

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H314

[ Precautionary Statements ]:
P280-P305 + P351 + P338-P310

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges

[ Hazard Codes ]:
C

[ Risk Phrases ]:
R20/21/22;R34

[ Safety Phrases ]:
S26-S36/37/39-S45

[ RIDADR ]:
UN 3261 8/PG 3

[ WGK Germany ]:
3

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail 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

Antihypertensive (2-aminoethyl)thiourea derivatives. 2.

J. Med. Chem. 23(12) , 1438-9, (1980)

Starting with 2,6-dichlorophenyl isothiocyanate, 1-(2-aminoethyl)-2-cyano-3-(2,6-dichlorophenyl)guanidine (2) was prepared in three steps. In contrast to the corresponding thiourea 1, this compound wa...

Birsa ML, et al.

Science of Synthesis: Houben-Weyl Methods of Molecular Transformations , (2014), 222