3-Chloro-4-fluorobenzoic acid

HCID 520989CAS 403-16-7

기본 정보

표준 SMILES: O=C(O)c1ccc(F)c(Cl)c1
InChIKey: PKTSBFXIHLYGEY-UHFFFAOYSA-N
분자식: C7H4ClFO2
평균 분자량: 174.55 g/mol
단동위원소 질량: 173.98838527

이름 및 식별자

우선 이름: 3-Chloro-4-fluorobenzoic acid
IUPAC: 3-chloro-4-fluorobenzoic acid
영어명: 3-Chloro-4-fluorobenzoic acid
분자식: C7H4ClFO2
분자량: 174.56

이름 및 동의어

3-Chloro-4-fluorobenzoic acid403-16-7Benzoic acid, 3-chloro-4-fluoro-DTXSID70334521RefChem:499969DTXCID80285611609-818-83-chloro-4-fluoro-benzoic acidMFCD000424774-fluoro-3-chlorobenzoyl acid4-Fluoro-3-chlorobenzoic acid3-Chloro-4-Fluorobenzoicacid

이름 더 보기

RARECHEM AL BO 0274TIMTEC-BB SBB0037961-chloro-3-fluorobezene3-chloro-4-fluorobenzioc acid3-Chloro-4-fluorobenzoicacid98%3-Chloro-4-fluorobenzoic Acid >3-Chloro-4-fluorobenzoic acid 98%

3-chloro4-fluorobenzoic acidSCHEMBL1095993 -chloro-4-fluorobenzoic acidSCHEMBL30308290BBL010021SBB003796STK7111193-Chloro-4-fluorobenzoic acid, 95%

데이터베이스 식별자

CAS: 403-16-7
PubChem CID: 520989
DTXSID: DTXSID70334521
EC Number: 609-818-8
Nikkaji: J382.965K

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

물리화학적 성질

녹는점: 133 · 133-135 °C(lit.)
끓는 점: 92 °C/22mm · 92°C/22mm
밀도: 1.4016 · 1.4016 (estimate)
저장 조건: Sealed in dry,Room Temperature
물리적 상태: powder to crystal
산도 계수 (pKa): 3.77 · 3.77±0.10(Predicted)
색상: White to Light yellow to Light orange
BRN: 2574799 · 2574799
InChI: InChI=1S/C7H4ClFO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11)
InChIKey: PKTSBFXIHLYGEY-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC=C(F)C(Cl)=C1
EPA: 3 · Benzoic acid, 3-chloro-4-fluoro- (403-16-7)

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 9.1% (1 of 11) of reports.

Warning

H315 (90.9%): Causes skin irritation [Warning Skin corrosion/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 11 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

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

Hazard Classes and CategoriesSkin Irrit. 2 (90.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29163990
risk_code: 36/37/38-20/21/22
hazard_code: Xi,Xn
safety_code: 37/39-26-36-24/25
위험 등급: IRRITANT

화학 및 산업

용도 및 제조

General Manufacturing InformationBenzoic acid, 3-chloro-4-fluoro-: ACTIVE

상·하류 제품 정보

상류 원료

하류 제품

3-CHLORO-4-FLUOROBENZYL ALCOHOL 3-클로로-4-플루오로벤조일클로라이드 Benzamide, 3-chloro-4-fluoro-N,N-dimethyl-2,3-디클로로-4-플루오로아닐린 3-클로로-4-플루오로벤조히드라지드

공급사50 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

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

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

T&W GROUP021-61551611 13296011611 · [email protected]

연결된 노트

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