CAS 4786-20-3 Crotononitrile (HCID 637921)

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기본 정보

CAS: 4786-20-3
표준 SMILES: C/C=C/C#N
InChIKey: NKKMVIVFRUYPLQ-NSCUHMNNSA-N
분자식: C4H5N
평균 분자량: 67.09 g/mol
단동위원소 질량: 67.04219916

개요

Crotononitrile is a nitrile.

이름 및 식별자

우선 이름: Crotononitrile
IUPAC: (E)-but-2-enenitrile
현지명: (2E)-2-부텐에니트릴
영어명: (2E)-2-Butenenitrile
분자식: C4H5N
분자량: 67.09

이름 및 동의어

CROTONONITRILERefChem:579468225-335-1627-26-9Crotonnitrile(E)-but-2-enenitrile4786-20-3Crotonic nitrile1-Cyanopropene(E)-2-Butenenitrile1-Propenyl cyanideCrotonique nitrile

이름 더 보기

(2E)-2-부텐에니트릴2-Butenenitrile, (2E)- (9CI)trans-Crotononitrile (contains ca. 20% cis- isomer)trans-2-Butenenitriletrans-Crotononitrile (contains ca. 20% cis- isomers)trans-Crotononitrile (contains ca. 20% cis- isomer) >trans-Crotononitrile (contains ca. 20% cis- isomer)

trans-Crotononitrile(2E)-but-2-enenitrilebeta-Methylacrylonitrile2-Butenenitrile, (E)-Crotonique nitrile [French]NSC 165574(2E)-2-ButenenitrileEINECS 225-335-1

데이터베이스 식별자

CAS: 4786-20-3、627-26-9
PubChem CID: 637921
DTXSID: DTXSID801026544
ChEMBL: CHEMBL4748537
ChEBI: CHEBI:191223
UNII: E74GS2HL23
EC Number: 225-335-1、811-029-0
Nikkaji: J42.317C、J512F

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 0
무거운 원자 수: 5
형식 전하: 0
복잡도: 72.9

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation

물리화학적 성질

녹는점: -51.15 °C · -51.15°C
끓는 점: 108.92 °C · 108.92°C (estimate)
밀도: 0.807 · 0.8070
굴절률: 1.419 to · 1.4190 to 1.4220
인화점: 16 °C · 16°C(lit.)
물리적 상태: 투명한 액체
색상: 무색~연황색
Dielectric constant: 28.1 · 28.100000000000001

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225 (99.5%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P308+P316, P316, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 209 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Regulatory Information · 2건

Status: Active Update: 05-05-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/25843

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazard Classes and Categories · 3건

Flam. Liq. 2 (99.5%)

Flam. Liq. 2 (100%)

Flammable agents - 3rd degree, Reactive agents - 1st degree