Isobutyl Isothiocyanate

Modify Date: 2024-01-28 17:20:12

Isobutyl Isothiocyanate Structure
Isobutyl Isothiocyanate structure
Common Name Isobutyl Isothiocyanate
CAS Number 591-82-2 Molecular Weight 115.19700
Density 0.94 Boiling Point 160 °C
Molecular Formula C5H9NS Melting Point N/A
MSDS Chinese USA Flash Point 24°C

 Names

Name Isobutyl Isothiocyanate
Synonym More Synonyms

 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

 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

 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%

 Synonyms

1-isothiocyanato-2-methylpropane
MFCD00022062
EINECS 209-733-2