3-클로로-2,5-다이메틸피라진

3-Chloro-2,5-dimethylpyrazine

HCID 66771

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 95-89-6
표준 SMILES: Cc1cnc(C)c(Cl)n1
InChIKey: NNBALVIZMGWZHS-UHFFFAOYSA-N
분자식: C6H7ClN2
평균 분자량: 142.58 g/mol
단동위원소 질량: 142.0297759

이름 및 식별자

우선 이름: 3-Chloro-2,5-dimethylpyrazine
IUPAC: 3-chloro-2,5-dimethylpyrazine
현지명: 3-클로로-2,5-다이메틸피라진
영어명: 3-CHLORO-2,5-DIMETHYLPYRAZINE
분자식: C6H7ClN2
분자량: 142.59

이름 및 동의어

3-Chloro-2,5-dimethylpyrazine95-89-6Pyrazine, 3-chloro-2,5-dimethyl-T2GK7ZW2EDEINECS 202-463-6UNII-T2GK7ZW2EDNSC 40820NSC-408202-CHLORO-3,6-DIMETHYLPYRAZINEDTXSID60241715RefChem:93380DTXCID90164206

이름 더 보기

3-클로로-2,5-다이메틸피라진2,5-Dimethyl-3-chloropyrazine3-CHLORO-2,5-DIMETHYLPIAZINE3-CHLORO-2,5-DIMETHYL-1,4-DIAZINE3-Chloro-2,5-dimethylpyrazine,93%3-Chloro-2,5-dimethylpyrazine >3-Chloro-2,5-diMethylpyrazine 98%3-Chloro-2,5-diMethylpyrazine, 97+%3-CHLORO-2,5-DIMETHYLPYRAZINE ISO 9001：2015 REACH

202-463-6NNBALVIZMGWZHS-UHFFFAOYSA-N3-chloro-2,5-dimethyl-pyrazineMFCD00006143AKOS000120130CS-W004093AB00609Z104479244

데이터베이스 식별자

CAS: 95-89-6
PubChem CID: 66771
DTXSID: DTXSID60241715
UNII: T2GK7ZW2ED
EC Number: 202-463-6
Nikkaji: J151.378H

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 9
형식 전하: 0
복잡도: 97.1

실험 및 물리화학적 성질

LogP1.5

물리화학적 성질

끓는 점: 66 · 66-69 °C/9 mmHg (lit.)
밀도: 1.181 g/mL · 1.181 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.527(lit.)
인화점: 182 °F · 182 °F
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2-8°C
물리적 상태: 투명한 액체
산도 계수 (pKa): -0.11 · -0.11±0.10(Predicted)
색상: Colorless to Light orange to Yellow
InChI: 1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
InChIKey: NNBALVIZMGWZHS-UHFFFAOYSA-N
SMILES: Cc1cnc(C)c(Cl)n1

화학적 성질

Brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

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

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
rtecs: UQ2462000
HS 번호: 29339900
safety_code: 24/25
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

응용 분야

용도3-Chloro-2,5-dimethylpyrazine participates in cross-coupling reactions involving chlroropyrazines with 1-substituted indoles. Occasionally this reaction is catalyzed by iron.