CAS 57235-84-4 5-(chloromethyl)-1-methyl-1H-1,2,3,4-tetrazole (HCID 12205086)

기본 정보

CAS: 57235-84-4
표준 SMILES: Cn1nnnc1CCl
InChIKey: QVMQSOGTBSMUQG-UHFFFAOYSA-N
분자식: C3H5ClN4
평균 분자량: 132.55 g/mol
단동위원소 질량: 132.02027384

이름 및 식별자

우선 이름: 5-(chloromethyl)-1-methyl-1H-1,2,3,4-tetrazole
IUPAC: 5-(chloromethyl)-1-methyltetrazole
영어명: 5-(chloromethyl)-1-methyl-1H-1,2,3,4-tetrazole
분자식: C3H5ClN4
분자량: 132.55

이름 및 동의어

5-(chloromethyl)-1-methyl-1H-1,2,3,4-tetrazole57235-84-4DTXSID10480379RefChem:300320DTXCID10431189817-690-15-(chloromethyl)-1-methyltetrazole5-(Chloromethyl)-1-methyl-1H-tetrazole5-chloromethyl-1-methyl-1H-tetrazole5-chloromethyl-1-methyl-tetrazole1H-Tetrazole, 5-(chloromethyl)-1-methyl-SCHEMBL1107488

이름 더 보기

QVMQSOGTBSMUQG-UHFFFAOYSA-N5-chloromethyl-1-methyl-1H-tetrazolAKOS011674440DB-1961091-methyl-5-chloromethyl-1,2,3,4-tetrazoleCS-0253156EN300-62574F8881-3879

데이터베이스 식별자

CAS: 57235-84-4
PubChem CID: 12205086
DTXSID: DTXSID10480379
EC Number: 817-690-1

물성

구조 계산 물성

XLogP: 0
극성 표면적: 43.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 8
형식 전하: 0
복잡도: 77.7

물리화학적 성질

녹는점: 65 · 65-66.5 °C
끓는 점: 311.7 · 311.7±21.0 °C(Predicted)
밀도: 1.55 · 1.55±0.1 g/cm3(Predicted)
저장 조건: 0 · Store at 0-8 °C
산도 계수 (pKa): 0.88 · 0.88±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.