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
  • Ethyl 8-methyl-4-oxo-1,2,3,4-tetrahydronaphthalene-2-carboxylate
  • Tert-butyl 2-(hydroxymethyl)-5,5-dimethylpiperidine-1-carboxylate
  • N-{1-cyano-1-[(4-methoxyphenyl)methyl]ethyl}acetamide
  • N-{1-[(4-chlorophenyl)methyl]-1-cyanoethyl}acetamide
  • N-{1-cyano-1-[(4-fluorophenyl)methyl]ethyl}acetamide
  • Ethyl 2-acetyl-4-cyclopropyl-4-oxobutanoate
  • methyl 3-(3-methoxyphenyl)-3-(1H-1,2,3,4-tetrazol-1-yl)propanoate
  • Ethyl 2-cyclopropanecarbonyl-4-cyclopropyl-4-oxobutanoate
  • Tert-butyl 4-methoxy-3,9-diazabicyclo[4.2.1]non-3-ene-9-carboxylate
  • 3-[1-(propan-2-yl)-1H-pyrazol-4-yl]-7-oxa-2-azaspiro[3.5]nonan-1-one
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