3,4-DICHLOROBENZYL ISOTHIOCYANATE

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Names

[ CAS No. ]:
18967-42-5

[ Name ]:
3,4-DICHLOROBENZYL ISOTHIOCYANATE

[Synonym ]:
3,4-Dichlorobenzyl isothiocyanate
MFCD00041113
3,4-Dichlor-benzylisothiocyanat

Chemical & Physical Properties

[ Density]:
1.38

[ Boiling Point ]:
130ºC 1mm

[ Melting Point ]:
26-28ºC

[ Molecular Formula ]:
C8H5Cl2NS

[ Molecular Weight ]:
218.10300

[ Flash Point ]:
142.7ºC

[ Exact Mass ]:
216.95200

[ PSA ]:
44.45000

[ LogP ]:
3.59620

[ Vapour Pressure ]:
0.000978mmHg at 25°C

[ Index of Refraction ]:
1.6295

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8485000
CHEMICAL NAME :
Isothiocyanic acid, (3,4-dichlorobenzyl) ester
CAS REGISTRY NUMBER :
18967-42-5
BEILSTEIN REFERENCE NO. :
2937608
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H5-Cl2-N-S
MOLECULAR WEIGHT :
218.10
WISWESSER LINE NOTATION :
SCN1R CG DG

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 :
79 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#02807

Safety Information

[ Risk Phrases ]:
R20/21/22;R36/37/38

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

[ RIDADR ]:
UN 2811

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • benzylamine, 3,4-dichloro-
  • (3,4-dichloro-benzyl)-dithiocarbamic acid , compound with triethylamine

DownStream

  • Thiourea,N,N'-bis[(3,4-dichlorophenyl)methyl]-
  • 1-[(3,4-dichlorophenyl)methyl]-3-(2-hydroxyethyl)thiourea
  • 1-[(3,4-dichlorophenyl)methyl]-3-(3-hydroxypropyl)thiourea
  • 3-[(3,4-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-1-methylthiourea

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%

Related Compounds

  • 3,4-dichlorobenzyl mercaptan
  • 3,4-DICHLOROBENZYL ISOCYANIDE
  • 3,4-Dichlorobenzyl chloride
  • 3,4-dichlorobenzyl methylcarbamate
  • (3,4-DICHLOROBENZYL)THIO]ACETICACID
  • 3,4-dichlorobenzyl isocyanate
  • N-(cyclopropylmethyl)-6-ethylpyrimidin-4-amine
  • 1-Ethoxy-3-(2-isocyanatopropan-2-yl)-2-methoxybenzene
  • 1-(2-Cyclopropylpyrimidin-5-yl)ethanone
  • Spiro[benzofuran-2(3H),4a(2)-piperidin]-3-ol, 7-methoxy-
  • 5-Bromo-2-methoxypyridine-3-sulfonamide
  • methyl 5-amino-4-cyclobutyl-1-cyclopropyl-1H-pyrazole-3-carboxylate
  • 5-Butyramidonicotinic acid
  • 1-cyclobutyl-5-cyclopentyl-1H-1,2,3-triazole-4-carboxylic acid
  • 3-Ethyl-5,6-dimethoxy-1-benzothiophene
  • 5-cyclobutyl-1-cyclopentyl-1H-1,2,3-triazole-4-carboxylic acid
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