5-클로로메틸-1,3-디메틸-1H-[1,2,4]트리아졸

5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole

HCID 13103100

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 84804-69-3
표준 SMILES: Cc1nc(CCl)n(C)n1
InChIKey: PDVSHBCOEGYRQB-UHFFFAOYSA-N
분자식: C5H8ClN3
평균 분자량: 145.59 g/mol
단동위원소 질량: 145.040675

이름 및 식별자

우선 이름: 5-(chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole
IUPAC: 5-(chloromethyl)-1,3-dimethyl-1,2,4-triazole
현지명: 5-클로로메틸-1,3-디메틸-1H-[1,2,4]트리아졸
영어명: 5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole
분자식: C5H8ClN3
분자량: 145.59

이름 및 동의어

5-(CHLOROMETHYL)-1,3-DIMETHYL-1H-1,2,4-TRIAZOLE84804-69-3DTXSID80518234RefChem:300315DTXCID30469040891-612-45-(chloromethyl)-1,3-dimethyl-1,2,4-triazoleMFCD13806380SCHEMBL3988225TQP0652PDVSHBCOEGYRQB-UHFFFAOYSA-NJDA80469

이름 더 보기

5-클로로메틸-1,3-디메틸-1H-[1,2,4]트리아졸5-Chloromethyl-1,3-dimethyl-1H-[1,2,4]triazole1H-1,2,4-Triazole, 5-(chloromethyl)-1,3-dimethyl-

AKOS016003308AT12165BS-36106SY455658DB-014533EN300-41582F2248795-(Chloromethyl)-1,3-dimethyl-1H-1,2,4-triazole, AldrichCPR

데이터베이스 식별자

CAS: 84804-69-3
PubChem CID: 13103100
DTXSID: DTXSID80518234
EC Number: 891-612-4

물성

구조 계산 물성

XLogP: 0.8
극성 표면적: 30.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 98

물리화학적 성질

저장 조건: 2 · 2-8°C
물리적 상태: solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.