Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용

HCID 536013생성일: 2026년 10월 27일

4-브로모-1-메틸-1H-피라졸-3-카르복실산

4-브로모-1-메틸-1H-피라졸-3-카르복실산 · 4-BroMo-1-Methylpyrazole-3-carboxylic Acid · AKOS B000146 · TIMTEC-BB SBB000441 · RARECHEM AL BE 1005 · ART-CHEM-BB B000146 · 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid · 1H-Pyrazole-3-carboxylic acid, 4-bromo-1-methyl-

https://huagongshe.com/ko/chemical/536013

식별자 및 물리적 특성

CAS No.	84547-86-4
분자식	C5H5BrN2O2
평균 분자량	205.01 g/mol
단동위원소 질량	203.95344 g/mol
SMILES	Cn1cc(Br)c(C(=O)O)n1
InChIKey	LEEPGDCCHVRYHK-UHFFFAOYSA-N
PubChem CID	536013
EC No.	673-163-4
DTXSID	DTXSID90336744
현지명	4-브로모-1-메틸-1H-피라졸-3-카르복실산

화학 및 물리적 성질

XLogP	0.8
극성 표면적	55.1
수소 결합 공여자 수	1
수소 결합 수용자 수	3
회전 가능 결합 수	1
무거운 원자 수	10
형식 전하	0
복잡도	153
녹는점	211-213℃
끓는 점	347.4±27.0 °C(Predicted)
밀도	1.93
저장 조건	2-8°C
pKa(산도 계수)	2.70±0.10(Predicted)

안전 및 규제

GHS 분류	WarningH302 (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 exposureRespiratory 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.
Hazard Classes and Categories	Acute Tox. 4 (100%)Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)
관세 코드	2933199090
위험 문구(R)	22-36/37/38
위험 표시	Xi,Xn
안전 문구(S)	22-26-36/37/39
위험 등급	IRRITANT

4-브로모-1-메틸-1H-피라졸-3-카르복실산

CAS No.

84547-86-4

분자식

C5H5BrN2O2

평균 분자량

205.01 g/mol

단동위원소 질량

203.95344 g/mol

SMILES

Cn1cc(Br)c(C(=O)O)n1

InChIKey

LEEPGDCCHVRYHK-UHFFFAOYSA-N

PubChem CID

536013

EC No.

673-163-4

DTXSID

DTXSID90336744

현지명

4-브로모-1-메틸-1H-피라졸-3-카르복실산

XLogP

0.8

극성 표면적

55.1

수소 결합 공여자 수

수소 결합 수용자 수

회전 가능 결합 수

무거운 원자 수

형식 전하

복잡도

153

녹는점

211-213℃

끓는 점

347.4±27.0 °C(Predicted)

밀도

1.93

저장 조건

2-8°C

pKa(산도 계수)

2.70±0.10(Predicted)

안전 및 규제

GHS 분류

WarningH302 (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 exposureRespiratory 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.

Hazard Classes and Categories

Acute Tox. 4 (100%)Acute Tox. 4 (50%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%)

관세 코드

2933199090

위험 문구(R)

22-36/37/38

위험 표시

Xi,Xn

안전 문구(S)

22-26-36/37/39

위험 등급

IRRITANT