Pyrazine, 2-(chloromethyl)-

HCID 170169CAS 39204-47-2

기본 정보

표준 SMILES: ClCc1cnccn1
InChIKey: GFHPSQFCHUIFTO-UHFFFAOYSA-N
분자식: C5H5ClN2
평균 분자량: 128.56 g/mol
단동위원소 질량: 128.01412584

이름 및 식별자

우선 이름: Pyrazine, 2-(chloromethyl)-
IUPAC: 2-(chloromethyl)pyrazine
영어명: (chloromethyl)pyrazine
분자식: C5H5ClN2
분자량: 128.56

이름 및 동의어

39204-47-2(Chloromethyl)pyrazinePyrazine, 2-(chloromethyl)-EINECS 254-353-2RefChem:870429254-353-22-(chloromethyl)pyrazine2-Chloromethyl-pyrazinePyrazine, (chloromethyl)-MFCD10697790chloromethylpyrazine2-Chloromethylpyrazine

이름 더 보기

2-(Chloromethyl)-1,4-diazine(chloromethyl)pyrazine ISO 9001：2015 REACHN-[2-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl]benzamide

2-(chloromethyl)-pyrazinepyrazinylmethyl chlorideSCHEMBL246396E57G47M2RWDTXSID4068167SCHEMBL171856632-(Chloromethyl)pyrazine (HCl)AKOS015940574

데이터베이스 식별자

CAS: 39204-47-2
PubChem CID: 170169
DTXSID: DTXSID4068167
UNII: E57G47M2RW
EC Number: 254-353-2
Nikkaji: J261.337I

물성

구조 계산 물성

XLogP: 0.3
극성 표면적: 25.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 67.4

물리화학적 성질

끓는 점: 202.9 · 202.9±25.0 °C(Predicted)
밀도: 1.241 · 1.241±0.06 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 0.22 · 0.22±0.10(Predicted)
EPA: Pyrazine, (chloromethyl)- (39204-47-2)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, 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.