2-Chloro-4,5-difluorobenzoic acid (HCID 737171)

이름 및 식별자

우선 이름: 2-Chloro-4,5-difluorobenzoic acid
IUPAC: 2-chloro-4,5-difluorobenzoic acid
영어명: 2-Chloro-4,5-difluorobenzoic acid
분자식: C7H3ClF2O2
분자량: 192.55

이름 및 동의어

2-Chloro-4,5-difluorobenzoic acid110877-64-0DTXSID60353180RefChem:468771DTXCID10304243405-380-5627-901-7MFCD000774792-Chloro-4,5-difluorobenzoicacidSCHEMBL9790562 -chloro-4,5-difluorobenzoic acidAC-3925

이름 더 보기

oro-4,5-difLCAS:110877-64-0TIMTEC-BB SBB003616RARECHEM AL BO 10002-chloro-4,5-difluorophenyl acidBenzoicacid, 2-chloro-4,5-difluoro-2-Chloro-4,5-difluorobenzoic acid 99%2-CHLORO-4,5-DIFLUOROBENZOIC ACID,98%2-Chloro-4,5-difluorobenzoic Acid >

GS-3091NCGC00338548-012-Chloro-4,5-difluorobenzoic acid, 99%EN300-20048AB01141503-03F0001-0232Z1044765862-chloro-4,5-difluoro-benzoic acid

데이터베이스 식별자

CAS: 110877-64-0
PubChem CID: 737171
DTXSID: DTXSID60353180
EC Number: 405-380-5、627-901-7
Nikkaji: J243.006A

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 37.3 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 12
형식 전하: 0
복잡도: 188

물리화학적 성질

녹는점: 103 · 103-106 °C (lit.)
끓는 점: 258 °C · 258 °C
밀도: 1.4821 · 1.4821 (estimate)
인화점: 257 · 257-259°C
저장 조건: Sealed in dry,Room Temperature
산도 계수 (pKa): 2.5 · 2.50±0.25(Predicted)
물리적 상태: 미세 결정성 분말
색상: 하얀색
수용성: 5 g/L · 5.0g/L(20℃)
BRN: 4247522 · 4247522
InChI: InChI=1S/C7H3ClF2O2/c8-4-2-6(10)5(9)1-3(4)7(11)12/h1-2H,(H,11,12)
InChIKey: CGFMLBSNHNWJAW-UHFFFAOYSA-N
SMILES: C(O)(=O)C1=CC(F)=C(F)C=C1Cl

화학적 성질

white to light yellow crystal powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H302: Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Danger

H302 (10.9%): 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)

유해성 정보

Regulatory InformationStatus: Active Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/14013

Hazard Classes and Categories · 4건

Acute Tox. 4 (66.7%)

Skin Irrit. 2 (89.1%)

Acute toxicity - category 4

Acute Tox. 4 *

안전 데이터

wgk: 3
HS 번호: 29163990
risk_code: 36/37/38-41-43-21/22-20/21/22
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39-36
위험 등급: IRRITANT
기존화학 물질: KE-05596
Hazard Classifications: Eye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

일반 설명2-Chloro-4,5-difluorobenzoic acid is an important intermediate in medicinal compounds and pesticides. Lanthanide complexes with the 2-chloro-4,5-difluorobenzoate (2-cl-4,5-dfba) and 1,10-phenanthroline (phen), have been prepared and their crystal structures have been studied. Efficient synthesis of 2-chloro-4,5-difluorobenzoic acid v-difluororbenzene has been reported.