Isobutyl Isothiocyanate

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Names

[ CAS No. ]:
591-82-2

[ Name ]:
Isobutyl Isothiocyanate

[Synonym ]:
1-isothiocyanato-2-methylpropane
MFCD00022062
EINECS 209-733-2

Chemical & Physical Properties

[ Density]:
0.94

[ Boiling Point ]:
160 °C

[ Molecular Formula ]:
C5H9NS

[ Molecular Weight ]:
115.19700

[ Flash Point ]:
24°C

[ Exact Mass ]:
115.04600

[ PSA ]:
44.45000

[ LogP ]:
1.74520

[ Index of Refraction ]:
1.4980

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NX8780100
CHEMICAL NAME :
Isothiocyanic acid, isobutyl ester
CAS REGISTRY NUMBER :
591-82-2
BEILSTEIN REFERENCE NO. :
1740371
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C5-H9-N-S
MOLECULAR WEIGHT :
115.21
WISWESSER LINE NOTATION :
SCN1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
100 ug/plate
REFERENCE :
ABCHA6 Agricultural and Biological Chemistry. (Maruzen Co. Ltd., POB 5050, Tokyo International, Tokyo 100-31, Japan) V.25- 1961- Volume(issue)/page/year: 44,3017,1980

Safety Information

[ Hazard Codes ]:
C:Corrosive;

[ Risk Phrases ]:
R10;R20/21/22;R36/37/38

[ Safety Phrases ]:
S16-S26-S36/37/39

[ RIDADR ]:
1992

[ RTECS ]:
NX8780100

[ Packaging Group ]:
III

[ Hazard Class ]:
3

[ HS Code ]:
2930909090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Thiophosgene
  • Isobutylamine
  • Carbon disulphide
  • 2,2,2-trifluoro-N-(2-methylpropyl)acetamide
  • isobutyl-dithiocarbamic acid ethyl ester
  • cyanic (isobutyl carbonic) thioanhydride
  • isobutyl-amidophosphoric acid diethyl ester
  • isobutyl p-toluenesulfonate

DownStream

  • 2-methylpropylthiourea
  • 1-(benzylideneamino)-3-(2-methylpropyl)thiourea
  • 1-methyl-3-(2-methylpropyl)thiourea
  • 1-(2-methylpropyl)-3-[4-(4-nitrophenyl)sulfonylphenyl]thiourea

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

  • Isobutyl-deoxynyboquinone
  • isobutyl 2-ethylhexanoate
  • isobutyl chloroform
  • isobutyl-(p-methoxy)-benzene
  • isobutyl quinoline
  • isobutyl-phenethyl-malonic acid diethyl ester