4-피리딜아세토니트릴 하이드로클로라이드

4-Pyridylacetonitrile hydrochloride

HCID 12396608

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 92333-25-0
표준 SMILES: Cl.N#CCc1ccncc1
InChIKey: UBYQSEXKPQZPCN-UHFFFAOYSA-N
분자식: C7H7ClN2
평균 분자량: 154.6 g/mol
단동위원소 질량: 154.0297759

이름 및 식별자

우선 이름: 4-Pyridylacetonitrile hydrochloride
IUPAC: 2-pyridin-4-ylacetonitrile;hydrochloride
현지명: 4-피리딜아세토니트릴 하이드로클로라이드
영어명: 4-Pyridylacetonitrile hydrochloride
분자식: C7H7ClN2
분자량: 154.6

이름 및 동의어

4-Pyridylacetonitrile hydrochlorideRefChem:526657626-745-792333-25-02-(pyridin-4-yl)acetonitrile hydrochloride4-Pyridylacetonitrile HCl4-Pyridyl acetonitrile Hydrochloride4-Pyridineacetonitrile hydrochlorideMFCD000128252-(4-Pyridyl)acetonitrile hydrochloridePyridine-4-acetonitrile hydrochloride2-pyridin-4-ylacetonitrile;hydrochloride

이름 더 보기

4-피리딜아세토니트릴하이드로클로라이드4-피리딜아세토니트릴염산염4-Pyridylacetonitril4-PyridineacetonitriLpyridine-4-acetonitrilePyridine-4-acetonitrileHClPyridin-4-yl-acetonitrile HCl4-Pyridylacetonitrile HCl Salt4-Cyanomethylpyridine hydrochloride

SCHEMBL192204-Pyridineacetonitrile, hydrochloride (1:1)(Pyridin-4-yl)acetonitrile--hydrogen chloride (1/1)4-pyridineacetonitrilehcl4-pyridylacetonitrile hyclorchloride4-Pyridineacetonitrile, monohydrochloride4-pyridy lacetonitrile hyclorchloride4-cyanomethylpyridine monohydrochloride

데이터베이스 식별자

CAS: 92333-25-0
PubChem CID: 12396608
DTXSID: DTXSID20496264
EC Number: 626-745-7

물성

구조 계산 물성

극성 표면적: 36.7 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 267 °C · 267 °C (dec.)(lit.)
끓는 점: 254.24 °C · 254.24°C (rough estimate)
밀도: 1.2281 · 1.2281 (rough estimate)
굴절률: 1.55 · 1.5500 (estimate)
저장 조건: 2 · 2-8°C
물리적 상태: solid
InChI: 1S/C7H6N2.ClH/c8-4-1-7-2-5-9-6-3-7;/h2-3,5-6H,1H2;1H
InChIKey: UBYQSEXKPQZPCN-UHFFFAOYSA-N
SMILES: Cl[H].N#CCc1ccncc1

화학적 성질

white to off-white or pink powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
ridadr: 2811
HS 번호: 29333990
risk_code: 20/21/22-36/37/38
hazard_code: Xn
safety_code: 26-36-36/37/39
포장분류: III
위험 등급: 6.1
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도4-Pyridylacetonitrile hydrochloride is a pyridine derivative used in the preparation of inhibitors of Acyl CoA: cholesterol acyltransferase as well as bone morphogenetic protein (BMP) signaling inhibitors.

일반 설명Acylation reaction of 4-pyridylacetonitrile hydrochloride has been reported.