4-브로모-1-메틸피라졸-3-카르복시산

4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid

HCID 673686CAS 84547-84-2
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cn1ncc(Br)c1C(=O)O
InChIKey
YXIJCAVZGBGUKM-UHFFFAOYSA-N
분자식
C5H5BrN2O2
평균 분자량
205.01 g/mol
단동위원소 질량
203.95344

이름 및 식별자

우선 이름
4-Bromo-1-methyl-1H-pyrazole-5-carboxylic acid
IUPAC
4-bromo-1-methylpyrazole-5-carboxylic acid
현지명
4-브로모-1-메틸피라졸-3-카르복시산
영어명
4-bromo-1-methylpyrazole-3-carboxy acid
분자식
C5H5BrN2O2
분자량
205.01

이름 및 동의어

84547-84-24-bromo-1-methyl-1H-pyrazole-5-carboxylic acidDTXSID00350097RefChem:519005DTXCID20301167673-169-74-Bromo-2-methyl-2H-pyrazole-3-carboxylic acid4-bromo-2-methylpyrazole-3-carboxylic acidMFCD004639824-bromo-1-methylpyrazole-5-carboxylic acid4-Bromo-1-methylpyrazole-3-carboxy acidTimTec1_000450
이름 더 보기
4-브로모-1-메틸피라졸-3-카르복시산1-Methyl-4-bromopyrazole-5-carboxylic acid4-bromo-2-methyl-3-pyrazolecarboxylic acid4-bromo-1-methyl-1H-pyrazole-5-carboxylic acid(SALTDATA: FREE)
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-methyl-MLS000685520SCHEMBL1357879CHEMBL1899934HMS1535E10HMS2618K16ALBB-004720SBB000440

데이터베이스 식별자

CAS
84547-84-2
PubChem CID
673686
DTXSID
DTXSID00350097
ChEMBL
CHEMBL1899934
EC Number
673-169-7

물성

구조 계산 물성

XLogP
0.8
극성 표면적
55.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
1
무거운 원자 수
10

물리화학적 성질

녹는점
235 · 235-236 °C
끓는 점
347.4 · 347.4±27.0 °C(Predicted)
밀도
1.93 · 1.93±0.1 g/cm3(Predicted)
저장 조건
2 · 2-8°C
산도 계수 (pKa)
1.75 · 1.75±0.37(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 3 reports by companies from 3 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.

유해성 정보

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

위험 등급
IRRITANT

화학 및 산업

상·하류 제품 정보

공급사50 곳

上海康恩博医药科技有限公司17510465506 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]

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