5-클로로-2-메틸벤조산

5-Chloro-2-methylbenzoic acid

HCID 82009CAS 7499-06-1

기본 정보

표준 SMILES: Cc1ccc(Cl)cc1C(=O)O
InChIKey: CSAPESWNZDOAFU-UHFFFAOYSA-N
분자식: C8H7ClO2
평균 분자량: 170.59 g/mol
단동위원소 질량: 170.01345714

개요

5-chloro-2-methylbenzoic acid is a member of the class of chlorobenzoic acids that is benzoic acid in which the ring hydrogens at positions 2 and 5 are replaced by methyl and chloro groups, respectively. It is a chlorobenzoic acid, a member of toluenes and a member of monochlorobenzenes.

이름 및 식별자

우선 이름: 5-Chloro-2-methylbenzoic acid
IUPAC: 5-chloro-2-methylbenzoic acid
현지명: 5-클로로-2-메틸벤조산
영어명: 5-Chloro-2-methylbenzoic acid
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

5-Chloro-2-methylbenzoic acid2-methyl-5-chlorobenzoic acidBenzoic acid, 5-chloro-2-methyl-5-Chloro-2-Methyl-Benzoic Acido-Toluic acid, 5-chloro-CHEBI:166854DTXSID70225945NSC 407520RefChem:102321DTXCID00148436627-760-17499-06-1

이름 더 보기

5-클로로-2-메틸벤조산RARECHEM AL BO 04715-Chloro-2-methylbenzoic5-Chloro-2-methylbenzoic Acid >4-(CHLOROMETHYL)BENZOIC ACID 99+%5-Chloro-o-toluic acid, 2-Carboxy-4-chlorotoluene

5-Chloro-o-toluic acidMFCD000458425-chloro-2-methyl benzoic acid3-CHLORO-6-METHYLBENZOIC ACIDAKOS005256571NSC-407520C2509Z1203161815

데이터베이스 식별자

CAS: 7499-06-1
PubChem CID: 82009
DTXSID: DTXSID70225945
ChEBI: CHEBI:166854
UNII: 78HDL38URQ
EC Number: 627-760-1
Nikkaji: J1.240.922B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 158

물리화학적 성질

녹는점: 168 · 168-173 °C
끓는 점: 293.5 · 293.5±20.0 °C(Predicted)
밀도: 1.31 · 1.310±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: 메탄올에 용해됨
물리적 상태: powder to crystal
산도 계수 (pKa): 3.5 · 3.50±0.25(Predicted)
색상: White to Light yellow to Light orange
InChI: InChI=1S/C8H7ClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: CSAPESWNZDOAFU-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(Cl)=CC=C1C

화학적 성질

White powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (93%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Cease Manufacture Update: 07-09-2016 https://echa.europa.eu/registration-dossier/-/registered-dossier/17881

Hazard Classes and CategoriesAcute Tox. 4 (93%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38-41-37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 5-chloro-2-methyl-: ACTIVE

상·하류 제품 정보

상류 원료

오쏘-톨루일산 아세트산(빙초산)요오드 모노염화물(베타)황산 과요오드 산 (수화물)

하류 제품

3-Chloro-2-methylbenzoic acid 5-클로로-2-메틸렌산에틸에스테르 5-chloro-2-methylbenzoyl chloride 1(3H)-Isobenzofuranone, 4-amino-6-chloro-

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

연결된 노트

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