메틸4-브로모-1-메틸-1H-피라졸-5-카르복실레이트

Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate

HCID 673643CAS 514816-42-3

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1c(Br)cnn1C
InChIKey: XOGHZBXSBLBJHQ-UHFFFAOYSA-N
분자식: C6H7BrN2O2
평균 분자량: 219.04 g/mol
단동위원소 질량: 217.96908956

이름 및 식별자

우선 이름: Methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
IUPAC: methyl 4-bromo-1-methylpyrazole-5-carboxylate
현지명: 메틸4-브로모-1-메틸-1H-피라졸-5-카르복실레이트
영어명: methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate
분자식: C6H7BrN2O2
분자량: 219.04

이름 및 동의어

methyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate514816-42-3DTXSID50350087RefChem:355597DTXCID70301157836-336-7methyl 4-bromo-2-methylpyrazole-3-carboxylateMFCD014598501H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl esterMethyl 4-bromo-2-methyl-pyrazole-3-carboxylateBBL013090STK315996

이름 더 보기

메틸4-브로모-1-메틸-1H-피라졸-5-카르복실레이트4-bromo-1-methylpyrazole-5-methylcarboxylate4-bromo-2-methyl-3-pyrazolecarboxylic acid methyl ester4-bromo-2-methyl-pyrazole-3-carboxylic acid methyl ester1H-pyrazole-5-carboxylic acid, 4-bromo-1-methyl-, methyl e4-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid methyl estermethyl 4-bromo-1-methyl-1H-pyrazole-5-carboxylate(SALTDATA: FREE)

AC-30767SY082288EN300-232375Methyl 4-bromo-2-methyl-2H-pyrazole-3-carboxylatemethyl 4-bromo-1-methylpyrazole-5-carboxylateAMY12037FT-0679636A871272

데이터베이스 식별자

CAS: 514816-42-3
PubChem CID: 673643
DTXSID: DTXSID50350087
EC Number: 836-336-7

물성

구조 계산 물성

XLogP: 1.1
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 165

물리화학적 성질

끓는 점: 276.5 · 276.5±20.0 °C(Predicted)
밀도: 1.67 · 1.67±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): -1.57 · -1.57±0.10(Predicted)
InChI: InChI=1S/C6H7BrN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChIKey: XOGHZBXSBLBJHQ-UHFFFAOYSA-N
SMILES: N1(C)C(C(OC)=O)=C(Br)C=N1

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)

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

위험 등급: IRRITANT

화학 및 산업

공급사50 곳

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

연결된 노트

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