4-브로모-1-메틸-1H-피라졸-3-카르복실산

4-bromo-1-methyl-1H-pyrazole-3-carboxylic acid

HCID 536013

기본 정보

CAS
84547-86-4
표준 SMILES
Cn1cc(Br)c(C(=O)O)n1
InChIKey
LEEPGDCCHVRYHK-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-3-carboxylic acid
IUPAC
4-bromo-1-methylpyrazole-3-carboxylic acid
현지명
4-브로모-1-메틸-1H-피라졸-3-카르복실산
영어명
4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid
분자식
C5H5BrN2O2
분자량
205.01

이름 및 동의어

4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-4DTXSID90336744RefChem:290508DTXCID80287832673-163-44-bromo-1-methylpyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-MFCD004639884-bromo-1-methyl-pyrazole-3-carboxylic acidHMS1375E12STK315906
이름 더 보기
4-브로모-1-메틸-1H-피라졸-3-카르복실산AKOS B000146TIMTEC-BB SBB000441RARECHEM AL BE 1005ART-CHEM-BB B000146
CS-W000417FS-13814-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid #4-bromo-1-methyl-1H-pyrazole-3-carboxylicacidChemDiv2_002212SCHEMBL1357926ALBB-004712SBB000441

데이터베이스 식별자

CAS
84547-86-4
PubChem CID
536013
DTXSID
DTXSID90336744
EC Number
673-163-4

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
211 · 211-213℃
끓는 점
347.4 · 347.4±27.0 °C(Predicted)
밀도
1.93 · 1.93
저장 조건
2 · 2-8°C
산도 계수 (pKa)
2.7 · 2.70±0.10(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation];H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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.;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 CategoriesAcute Tox. 4 (100%);Acute Tox. 4 (50%);Skin Irrit. 2 (100%);Eye Irrit. 2A (100%);Acute Tox. 4 (50%);STOT SE 3 (100%)

안전 데이터

HS 번호
2933199090
risk_code
22-36/37/38
hazard_code
Xi,Xn
safety_code
22-26-36/37/39
위험 등급
IRRITANT

화학 및 산업

공급사69 곳

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]
郑州汇聚化工有限公司13393710386 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

관련 반응

4건

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