2-클로로-3-메틸-퀴녹살린

2-Chloro-3-methylquinoxaline

HCID 236276CAS 32601-86-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1nc2ccccc2nc1Cl
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
분자식: C9H7ClN2
평균 분자량: 178.62 g/mol
단동위원소 질량: 178.0297759

이름 및 식별자

우선 이름: 2-Chloro-3-methylquinoxaline
IUPAC: 2-chloro-3-methylquinoxaline
현지명: 2-클로로-3-메틸-퀴녹살린
영어명: 2-Chloro-3-methyl-quinoxaline
분자식: C9H7ClN2
분자량: 178.62

이름 및 동의어

2-chloro-3-methylquinoxalineDTXSID50284712RefChem:86197DTXCID30235863676-130-232601-86-82-Chloro-3-methyl-quinoxalineQuinoxaline, 2-chloro-3-methyl-MFCD00023913SCHEMBL16709422-Chloro-3-methylquinoxaline, 97%SY017612

이름 더 보기

2-클로로-3-메틸-퀴녹살린NSC 38593AKOS BBS-00004537TIMTEC-BB SBB0106322-Chloro-3-methylquinoxaline ,97%

doi:10.14272/PXDLUYLWPJMGJA-UHFFFAOYSA-N.2Z57156248BCP27356NSC38593AM20070342FT-06117323-chloro-2-methylquinoxalineALBB-023906

데이터베이스 식별자

CAS: 32601-86-8
PubChem CID: 236276
DTXSID: DTXSID50284712
EC Number: 676-130-2、692-189-7
Nikkaji: J1.430.571H

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 12
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 91 · 91-93℃
끓는 점: 259.9 · 259.9±35.0 °C(Predicted)
밀도: 1.292 · 1.292±0.06 g/cm3(Predicted)
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: powder
산도 계수 (pKa): -1.14 · -1.14±0.48(Predicted)
InChI: 1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChIKey: PXDLUYLWPJMGJA-UHFFFAOYSA-N
SMILES: Cc1nc2ccccc2nc1Cl

화학적 성질

Pink solid

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H301 (84.8%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

유해성 정보

Hazard Classes and Categories · 2건

Acute Tox. 3 (84.8%)

Acute Tox. 4 (100%)

안전 데이터

wgk: 2
ridadr: UN 2811 6.1 / PGIII
HS 번호: 29339900
risk_code: 25-41
hazard_code: Xi,T
safety_code: 26-39-45
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 3 OralEye Dam. 1
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects