2-Chloro-4-fluorophenylacetonitrile

HCID 2725063

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 75279-56-0
표준 SMILES: N#CCc1ccc(F)cc1Cl
InChIKey: GSMCLMKFBYLWRP-UHFFFAOYSA-N
분자식: C8H5ClFN
평균 분자량: 169.58 g/mol
단동위원소 질량: 169.00945506

이름 및 식별자

우선 이름: 2-Chloro-4-fluorophenylacetonitrile
IUPAC: 2-(2-chloro-4-fluorophenyl)acetonitrile
영어명: 3-Chloro-4-fluorophenylacetonitrile
분자식: C8H5ClFN
분자량: 169.58

이름 및 동의어

2-Chloro-4-fluorophenylacetonitrile(2-chloro-4-fluorophenyl)acetonitrileDTXSID10369352RefChem:468995DTXCID70320388642-571-4811-551-975279-56-02-(2-chloro-4-fluorophenyl)acetonitrile2-Chloro-4-fluorobenzyl cyanideMFCD00236029Benzeneacetonitrile, 2-chloro-4-fluoro-

이름 더 보기

TIMTEC-BB SBB0057612 2-Chloro-4-fluorobenzyl cyanide2-Chloro-4-fluorobenzyl cyanide, 99+%2-Chloro-4-fluorophenylacetonitrile97%2-Chloro-4-fluorophenylacetonitrile 97%2-Chloro 4-fluoro phenyl acetonitrile, 98

2-chloro-4-fluorobenzeneacetonitrileSCHEMBL1554982-(2-chloro-4-fluorophenyl)ethanenitrile2-Chloro-4-fluorobenzylcyanideSCHEMBL30641468GSMCLMKFBYLWRP-UHFFFAOYSA-NSBB0057612-chloro-4-fluoro phenyl acetonitrile

데이터베이스 식별자

CAS: 75279-56-0
PubChem CID: 2725063
DTXSID: DTXSID10369352
EC Number: 642-571-4、811-551-9
Nikkaji: J2.076.031A

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 23.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 174

물리화학적 성질

녹는점: 67 · 67-69 °C
끓는 점: 253.2 · 253.2±25.0 °C(Predicted)
밀도: 1.3099 · 1.3099 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: 결정질 고체
색상: Faint yellow / powder

화학적 성질

WHITE CRYSTALLINE POWDER

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H300 (50%): Fatal if swallowed [Danger Acute toxicity, oral]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H301+H311+H331 (100%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]