4-브로모-1,3-디메틸-1H-피라졸-5-카르복실산

4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid

HCID 2779833

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 5775-88-2
표준 SMILES: Cc1nn(C)c(C(=O)O)c1Br
InChIKey: ZUEAEVZRYGUFPS-UHFFFAOYSA-N
분자식: C6H7BrN2O2
평균 분자량: 219.04 g/mol
단동위원소 질량: 217.96908956

이름 및 식별자

우선 이름: 4-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acid
IUPAC: 4-bromo-1,3-dimethylpyrazole-5-carboxylic acid
현지명: 4-브로모-1,3-디메틸-1H-피라졸-5-카르복실산
영어명: 4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
분자식: C6H7BrN2O2
분자량: 219.04

이름 및 동의어

5775-88-24-bromo-1,3-dimethyl-1H-pyrazole-5-carboxylic acidDTXSID00381568RefChem:518841DTXCID80332593673-154-54-bromo-2,5-dimethylpyrazole-3-carboxylic acidMFCD020908734-Bromo-2,5-dimethyl-2H-pyrazole-3-carboxylic acid1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-dimethyl-4-bromo-1,3-dimethylpyrazole-5-carboxylic acid4-bromo-2,5-dimethyl-pyrazole-3-carboxylic Acid

이름 더 보기

4-브로모-1,3-디메틸-1H-피라졸-5-카르복실산4-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLIC4-bromo-2,5-dimethyl-3-pyrazolecarboxylic acid4-BROMO-1,3-DIMETHYL-1H-PYRAOZLE-5-CARBOXYLIC ACID

SCHEMBL13594244-BROMO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBOXYLICACIDAKOS B000212BUTTPARK 93\11-59ZUEAEVZRYGUFPS-UHFFFAOYSA-NART-CHEM-BB B000212ALBB-014448BBL013086

데이터베이스 식별자

CAS: 5775-88-2
PubChem CID: 2779833
DTXSID: DTXSID00381568
EC Number: 673-154-5

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 176

물리화학적 성질

녹는점: 230 · 230-232
끓는 점: 344 · 344.0±42.0 °C(Predicted)
밀도: 1.8 · 1.80±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Sealed in dry,Store in freezer, under -20°C
물리적 상태: powder
산도 계수 (pKa): 1.83 · 1.83±0.38(Predicted)
InChI: 1S/C6H7BrN2O2/c1-3-4(7)5(6(10)11)9(2)8-3/h1-2H3,(H,10,11)
InChIKey: ZUEAEVZRYGUFPS-UHFFFAOYSA-N
SMILES: OC(C1=C(Br)C(C)=NN1C)=O

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

안전 데이터

wgk: 3
HS 번호: 2933199090
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
위험 등급: IRRITANT
스토리지 클래스: 13 - Non Combustible Solids

화학 및 산업

공급사46 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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

郑州汇聚化工有限公司13393710386 · [email protected]

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

화합물 노트

불러오는 중…