4-Methylthiophene-2-carboxylic acid

HCID 2794584CAS 14282-78-1

기본 정보

표준 SMILES: Cc1csc(C(=O)O)c1
InChIKey: YCIVJGQMXZZPAB-UHFFFAOYSA-N
분자식: C6H6O2S
평균 분자량: 142.18 g/mol
단동위원소 질량: 142.00885043

이름 및 식별자

우선 이름: 4-Methylthiophene-2-carboxylic acid
IUPAC: 4-methylthiophene-2-carboxylic acid
영어명: 4-Methyl-2-thiophenecarboxylic acid
분자식: C6H6O2S
분자량: 142.18

이름 및 동의어

4-Methylthiophene-2-carboxylic acid14282-78-1DTXSID90383233RefChem:294705DTXCID60334257627-957-24-methyl-2-thiophenecarboxylic acid4-Methyl-thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 4-methyl-MFCD00089284SCHEMBL130041168902-34-9

이름 더 보기

Compound Fr13693BUTTPARK 99\15-30ASINEX-REAG BAS 076646712-Carboxy-4-methylthiophene4-methylthiophen-2-carboxlic acid4-methylthiophen-2-carboxylic acid4-Methylthiophene-2-carboxylic acid 97%

CHEMBL42906644-methyl-2-thiopene carboxylic acidBDBM50467733AKOS000303037BP-10448F2191-0136SCHEMBL130040orb3170102

데이터베이스 식별자

CAS: 14282-78-1
PubChem CID: 2794584
DTXSID: DTXSID90383233
ChEMBL: CHEMBL4290664
EC Number: 627-957-2
Nikkaji: J1.007.581E

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 65.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 124

물리화학적 성질

녹는점: 122 · 122-126 °C(lit.)
끓는 점: 158 °C · 158 °C(Press: 16 Torr)
밀도: 1.319 · 1.319±0.06 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: solid
산도 계수 (pKa): 3.76 · 3.76±0.10(Predicted)
InChI: 1S/C6H6O2S/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3,(H,7,8)
InChIKey: YCIVJGQMXZZPAB-UHFFFAOYSA-N
SMILES: Cc1csc(c1)C(O)=O

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H317 (97.6%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesSkin Sens. 1 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29349990
risk_code: 36-43
hazard_code: Xi
safety_code: 26-37/39
위험 등급: IRRITANT
Hazard Classifications: Eye Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

공급사50 곳

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]

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

武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

연결된 노트

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