1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester

HCID 67334055

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 878744-22-0
표준 SMILES: COC(=O)c1cc(CBr)n(C)n1
InChIKey: XPUITOYPHIBAKN-UHFFFAOYSA-N
분자식: C7H9BrN2O2
평균 분자량: 233.06 g/mol
단동위원소 질량: 231.98473963

이름 및 식별자

우선 이름: 1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl ester
IUPAC: methyl 5-(bromomethyl)-1-methylpyrazole-3-carboxylate
영어명: 5-Bromomethyl-1-methyl-1H-pyrazole-3-carboxylicacidmethylester
분자식: C7H9BrN2O2
분자량: 233.06

이름 및 동의어

878744-22-0methyl 5-(bromomethyl)-1-methyl-1H-pyrazole-3-carboxylate1H-Pyrazole-3-carboxylic acid, 5-(bromomethyl)-1-methyl-, methyl esterDTXSID401154379RefChem:439057DTXCID001585900855-339-45-Bromomethyl-1-methyl-1H-pyrazole-3-carboxylic acid methyl esterMFCD21362488METHYL 5-(BROMOMETHYL)-1-METHYLPYRAZOLE-3-CARBOXYLATESCHEMBL2249666DKB74422

이름 더 보기

5-Bromomethyl-1-methyl-1H-pyrazole-3-carboxylicacidmethylester

AKOS026743462PS-9963SY353035DB-343395EN300-199308G19765F3175395-bromothyl-1-methyl-1H-pyrazole-3-methyl carboxylate

데이터베이스 식별자

CAS: 878744-22-0
PubChem CID: 67334055
DTXSID: DTXSID401154379
EC Number: 855-339-4

물성

구조 계산 물성

XLogP: 1
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 177

물리화학적 성질

끓는 점: 324.4 · 324.4±32.0 °C(Predicted)
밀도: 1.58 · 1.58±0.1 g/cm3(Predicted)
산도 계수 (pKa): -0.72 · -0.72±0.10(Predicted)
물리적 상태: 고체
색상: 하얀색

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

HS 번호: 2933199090

화학 및 산업

공급사8 곳

南京凯美西化工有限公司02558748998 18951874644 · [email protected]

宁波振岳医药科技有限公司19817745290 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]

河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]

화합물 노트

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