4-Chloro-2-methylbenzoic acid (HCID 348269)

이름 및 식별자

우선 이름: 4-Chloro-2-methylbenzoic acid
IUPAC: 4-chloro-2-methylbenzoic acid
영어명: 4-CHLORO-2-METHYLBENZOIC ACID
분자식: C8H7ClO2
분자량: 170.59

이름 및 동의어

4-Chloro-2-methylbenzoic acid7499-07-2DTXSID60324678RefChem:98383DTXCID40275795625-372-7Benzoic acid, 4-chloro-2-methyl-MFCD000458524-Chloro-o-toluic acid4-chloro-2-methyl-benzoic acido-Toluic acid, 4-chloro-NSC-407521

이름 더 보기

RARECHEM AL BO 04722-METHYL-4-CHLOROBENZOIC ACIDBenzoic acid,4-chloro-2-methyl-4-Chloro-2-methylbenzoicacid,98%4-Chloro-2-methylbenzoic Acid >4-Chloro-2-Methylbenzoic Acid, 97+%2-Carboxy-5-chlorotoluene, 4-Chloro-o-toluic acid

4-chloro-2-methylbenzoicacidNSC407521P66MF6GZK7SCHEMBL109654orb3030525SCHEMBL8483793XXFKOBGFMUIWDH-UHFFFAOYSA-NCL8113

데이터베이스 식별자

CAS: 7499-07-2
PubChem CID: 348269
DTXSID: DTXSID60324678
UNII: P66MF6GZK7
EC Number: 625-372-7、917-372-3
Nikkaji: J855.110C

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: 167 · 167-171 °C (lit.)
끓는 점: 300.3 · 300.3±22.0 °C(Predicted)
밀도: 1.31 · 1.310±0.06 g/cm3(Predicted)
저장 조건: Inert atmosphere,Room Temperature
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 3.63 · 3.63±0.25(Predicted)
색상: 하얀색
InChI: InChI=1S/C8H7ClO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey: XXFKOBGFMUIWDH-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(Cl)C=C1C

화학적 성질

White to yellow powder or crystal

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302 (88.6%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (11.4%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.6%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 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

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

Hazard Classes and CategoriesAcute Tox. 4 (88.6%)；Skin Irrit. 2 (11.4%)；Eye Dam. 1 (88.6%)；Eye Irrit. 2A (11.4%)

규제 정보

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

안전 데이터

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

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 4-chloro-2-methyl-: ACTIVE

응용 분야

용도4-Chloro-2-methylbenzoic acid can be used in the synthesis of:4-chloro-2-methylbenzophenone via Freidel Craft′s acylation with benzene4-chloro-2-methyl-5-(methylsulfonyl)benzoic acid4-chloro-2-methyl-3-nitrobenzoic acid methyl ester

일반 설명4-Chloro-2-methylbenzoic acid can be synthesized from 4-chlorobenzoic acid via a multi-step reaction process.

상·하류 제품 정보

상류 원료

하류 제품

4-플루오로-2-메틸벤조산 4-(chloromethyl)-3-nitrobenzoic acid 4-chloro-2-methyl-5-(methylsulfonyl)Benzoic acid Ethyl 4-chloro-2-methylbenzoate

공급사50 곳

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

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

上海策嵘生物科技有限公司[email protected]

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

INTATRADE GmbH+49 3493/605464 · [email protected]

연결된 노트

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4-Chloro-2-methylbenzoic acid

기본 정보