1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid

HCID 2769586

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 187998-44-3
표준 SMILES: Cc1c(C(=O)O)cnn1-c1ccc(Br)cc1
InChIKey: XHUOEOFQYJPQOZ-UHFFFAOYSA-N
분자식: C11H9BrN2O2
평균 분자량: 281.1 g/mol
단동위원소 질량: 279.98474

이름 및 식별자

우선 이름: 1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
IUPAC: 1-(4-bromophenyl)-5-methylpyrazole-4-carboxylic acid
영어명: 1-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid
분자식: C11H9BrN2O2
분자량: 281.11

이름 및 동의어

1-(4-bromophenyl)-5-methyl-1H-pyrazole-4-carboxylic acid187998-44-3DTXSID10377775RefChem:224910DTXCID103288031-(4-bromophenyl)-5-methylpyrazole-4-carboxylic acidMFCD041227581-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-carboxylic acid1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-5-methyl-SCHEMBL23976951-(4-bromophenyl)-5-methyl-pyrazole-4-carboxylic AcidXHUOEOFQYJPQOZ-UHFFFAOYSA-N

이름 더 보기

1-(4-Bromo-phenyl)-5-methyl-1H-pyrazole-4-

BBL011227AKOS000143927SY167845VS-02892CS-0204365EN300-29442C91568F023348

데이터베이스 식별자

CAS: 187998-44-3
PubChem CID: 2769586
DTXSID: DTXSID10377775
EC Number: 674-154-8

물성

구조 계산 물성

XLogP: 2.5
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 16
형식 전하: 0
복잡도: 267

물리화학적 성질

녹는점: 213 °C · 213 °C
끓는 점: 422.4 · 422.4±35.0 °C(Predicted)
밀도: 1.61 · 1.61±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.29 · 3.29±0.25(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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.；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 (50%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

공급사10 곳

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

上海技毅生物科技有限公司13621943973 · [email protected]

上海堃睿化工科技有限公司+86-021-50935922

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

上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]

화합물 노트

불러오는 중…