CAS 81831-68-7 2-(Chloromethyl)-5-methylpyrazine (HCID 13221025)

기본 정보

CAS: 81831-68-7
표준 SMILES: Cc1cnc(CCl)cn1
InChIKey: DDGKEWIOOGLGAK-UHFFFAOYSA-N
분자식: C6H7ClN2
평균 분자량: 142.58 g/mol
단동위원소 질량: 142.0297759

이름 및 식별자

우선 이름: 2-(Chloromethyl)-5-methylpyrazine
IUPAC: 2-(chloromethyl)-5-methylpyrazine
현지명: 2-(클로로에틸)-5-메틸피라진
영어명: 2-(CHLOROMETHYL)-5-METHYLPYRAZINE
분자식: C6H7ClN2
분자량: 142.59

이름 및 동의어

2-(chloromethyl)-5-methylpyrazine81831-68-7DTXSID00529403RefChem:253544DTXCID10480192886-901-7MFCD10697788pyrazine, 2-(chloromethyl)-5-methyl-, hydrochloridePYRAZINE, 2-(CHLOROMETHYL)-5-METHYL-2-(Chloromethyl)-5-methyl-PyrazineSCHEMBL20202852-Chloromethyl-5-methyl-pyrazine

이름 더 보기

2-(클로로에틸)-5-메틸피라진-5-methylpyrazine

DDGKEWIOOGLGAK-UHFFFAOYSA-N2-methyl 5-pyrazinylmethyl chloride2-methyl-5-pyrazinylmethyl chlorideALBB-027676AKOS009360101PB10823BS-13080CS-0052238

데이터베이스 식별자

CAS: 81831-68-7
PubChem CID: 13221025
DTXSID: DTXSID00529403
EC Number: 886-901-7
Nikkaji: J292.692J

물성

구조 계산 물성

XLogP: 0.6
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 87.1

물리화학적 성질

끓는 점: 212.8 · 212.8±35.0 °C(Predicted)
밀도: 1.189 · 1.189±0.06 g/cm3(Predicted)
저장 조건: Store at Room Tem.
산도 계수 (pKa): 1.01 · 1.01±0.10(Predicted)

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, P319, P321, P330, 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.