크로토노니트릴

2-Butenenitrile

HCID 20913CAS 4786-20-3
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC=CC#N
InChIKey
NKKMVIVFRUYPLQ-UHFFFAOYSA-N
분자식
C4H5N
평균 분자량
67.09 g/mol
단동위원소 질량
67.04219916

이름 및 식별자

우선 이름
2-Butenenitrile
IUPAC
but-2-enenitrile
현지명
크로토노니트릴
영어명
Crotononitrile (pract)
분자식
C4H5N
분자량
67.09

이름 및 동의어

DTXSID00636041Cyanopropene1Propenyl cyanidebetaMethylacrylonitrileRefChem:467972DTXCID60405872-butenenitrilebut-2-enenitrile4786-20-3trans-Crotononitrile (contains ca. 20% cis- isomer)SCHEMBL100573SCHEMBL269866
이름 더 보기
크로토노나이트릴크로토노니트릴CROTONONITRILECROTONITRILE(2E)-2-Butenenitriletrans-Crotononitrilee (pract)CrotonnitrileCrotononitriL1-CYANOPROPENE
SCHEMBL5048806SCHEMBL5162526SCHEMBL6576463AKOS025243186trans-Crotononitrile, inverted exclamation markO75%,contains ca. 20% cis-isomer

데이터베이스 식별자

CAS
4786-20-3
PubChem CID
20913
DTXSID
DTXSID0063604
EC Number
225-335-1

물성

구조 계산 물성

XLogP
0.8
극성 표면적
23.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
1
회전 가능 결합 수
0
무거운 원자 수
5

실험 및 물리화학적 성질

Chemical Classes · 2건

Nitrogen Compounds -> Nitriles

Flammable agents - 3rd degree

SpringerMaterials PropertiesBoiling point
Flash Point16 °C
Vapor Pressure32.0 [mmHg]
Physical DescriptionSoluble in water (25 g/L at 25 deg C); [ChemIDplus] Slightly yellow clear liquid; [MSDSonline]

물리화학적 성질

녹는점
-51.5 °C · -51.5°C
끓는 점
120 · 120-121 °C(lit.)
밀도
0.824 g/mL · 0.824 g/mL at 25 °C(lit.)
굴절률
20 · n20/D 1.419(lit.)
인화점
17 °C · 17 °C
저장 조건
Flammables area

화학적 성질

CLEAR LIGHT YELLOW LIQUID

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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

Crotonic acid nitrile: Does not have an individual approval but may be used under an appropriate group standard

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.)

Hazards Summary · 1건

Corrosive to skin and eyes; [eChemPortal: ERMA] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Causes lacrimation and may cause chemical pneumonitis and pulmonary edema after inhalation of high concentrations; May cause liver injury; [MSDSonline] See NITRILES.

Hazard Classes and Categories · 2건

Flam. Liq. 2 (99.5%)

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

독성 정보

Adverse EffectsOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
GQ6322000
ridadr
UN 2924 3/PG 2
HS 번호
29269090
risk_code
11-22-36/37/38-26-16

화학 및 산업

용도 및 제조

General Manufacturing Information2-Butenenitrile: ACTIVE

응용 분야

일반 설명Neurotoxic properties of crotononitrile have been investigated. Mechanism of the Baylis-Hillman reaction of crotononitrile and benzaldehyde in the presence of 1,4-diazabicyclo[2,2,2]octane (catalyst) has been investigated.

상·하류 제품 정보

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]

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