5-메틸-1-페닐-1H-피라졸-4-카르복실산

5-Methyl-1-phenylpyrazole-4-carboxylic acid

HCID 145221

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 91138-00-0
표준 SMILES: Cc1c(C(=O)O)cnn1-c1ccccc1
InChIKey: USSMIQWDLWJQDQ-UHFFFAOYSA-N
분자식: C11H10N2O2
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.07422757

이름 및 식별자

우선 이름: 5-Methyl-1-phenylpyrazole-4-carboxylic acid
IUPAC: 5-methyl-1-phenylpyrazole-4-carboxylic acid
현지명: 5-메틸-1-페닐-1H-피라졸-4-카르복실산
영어명: 5-METHYL-1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
분자식: C11H10N2O2
분자량: 202.21

이름 및 동의어

91138-00-05-Methyl-1-phenylpyrazole-4-carboxylic acidDTXSID00238422RefChem:103093DTXCID20160913USSMIQWDLWJQDQ-UHFFFAOYSA-N5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid3-Methyl-2-phenylpyrazole-4-carboxylic acid5-Methyl-1-Phenyl-Pyrazole-4-Carboxylic AcidMFCD000678316a-9-Difluoroprednisolone-17-CarboxylateCHEMBL5081820

이름 더 보기

5-메틸-1-페닐-1H-피라졸-4-카르복실산AKOS PAO-0331BUTTPARK 33\08-16CBI-BB ZERO/006129RARECHEM AL BE 1317TIMTEC-BB SBB005428SALOR-INT L317624-1EAAlitretinoin Impurity 103-METHYL-2-PHENYLPYRAZOLE-4-CARBOXYLIC &

SY0500671-phenyl-5-methylpyrazole-4-carboxylic acidT73062F2135-05295-Methyl-1-phenyl-1H-pyrazole-4-carboxylic Acid;9FHAMY33192CDS1_000125

데이터베이스 식별자

CAS: 91138-00-0
PubChem CID: 145221
DTXSID: DTXSID00238422
ChEMBL: CHEMBL5081820
EC Number: 622-026-7
Nikkaji: J2.874.476E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 166 · 166-170 °C(lit.)
끓는 점: 382.9 · 382.9±22.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: Store at room temperature
용해도: 클로로포름에 용해됨
물리적 상태: 고체
산도 계수 (pKa): 3.38 · 3.38±0.25(Predicted)
색상: 회백색
BRN: 162776 · 162776
InChI: 1S/C11H10N2O2/c1-8-10(11(14)15)7-12-13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey: USSMIQWDLWJQDQ-UHFFFAOYSA-N
SMILES: Cc1c(cnn1-c2ccccc2)C(O)=O

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 5건

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13%): 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 46 reports by companies from 5 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 (15.2%)；STOT SE 3 (13%)

안전 데이터

wgk: 3
HS 번호: 29331990
risk_code: 38
hazard_code: Xi
safety_code: 36
위험 등급: IRRITANT
Hazard Classifications: Skin Irrit. 2
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야

용도5-Methyl-1-phenylpyrazole-4-carboxylic Acid (cas# 91138-00-0) is a compound useful in organic synthesis.

상·하류 제품 정보

상류 원료

공급사61 곳

宁波振岳医药科技有限公司19817745290 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

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]

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