Isobutyl cyanoacetate

Modify Date: 2024-01-03 11:51:35

Isobutyl cyanoacetate Structure
Isobutyl cyanoacetate structure
Common Name Isobutyl cyanoacetate
CAS Number 13361-31-4 Molecular Weight 141.16800
Density 0.99 Boiling Point 112 °C (16 mmHg)
Molecular Formula C7H11NO2 Melting Point -26ºC
MSDS N/A Flash Point 106 °C

 Names

Name Isobutyl Cyanoacetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 0.99
Boiling Point 112 °C (16 mmHg)
Melting Point -26ºC
Molecular Formula C7H11NO2
Molecular Weight 141.16800
Flash Point 106 °C
Exact Mass 141.07900
PSA 50.09000
LogP 1.09928
Vapour Pressure 0.304mmHg at 25°C
Index of Refraction 1.4212-1.4232
Water Solubility IMMISCIBLE

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AG4250000
CHEMICAL NAME :
Acetic acid, cyano-, isobutyl ester
CAS REGISTRY NUMBER :
13361-31-4
BEILSTEIN REFERENCE NO. :
1761677
LAST UPDATED :
199701
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H11-N-O2
MOLECULAR WEIGHT :
141.19
WISWESSER LINE NOTATION :
NC1VO1Y1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4520 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
LONZA# Personal Communication from LONZA Ltd., CH-4002, Basel, Switzerland Volume(issue)/page/year: 13FEB1981

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
RTECS AG4250000
HS Code 2926909090

 Synthetic Route

~84%

Isobutyl cyanoacetate Structure

Isobutyl cyanoa...

CAS#:13361-31-4

Literature: Plietker, Bernd; Dieskau, Andre; Moews, Katrin; Jatsch, Anja Angewandte Chemie - International Edition, 2008 , vol. 47, # 1 p. 198 - 201

 Precursor & DownStream

Precursor  2

DownStream  1

 Customs

HS Code 2926909090
Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

 Synonyms

2-methylpropyl 2-cyanoacetate
Isobutyl cyanoacetate
Cyanoacetic Acid Isobutyl Ester
EINECS 236-422-9
MFCD00044320
Isobutyl 2-cyanoacetate