2,5-Difluorobenzoyl chloride

HCID 588082CAS 35730-09-7

기본 정보

표준 SMILES: O=C(Cl)c1cc(F)ccc1F
InChIKey: RLRUKKDFNWXXRT-UHFFFAOYSA-N
분자식: C7H3ClF2O
평균 분자량: 176.55 g/mol
단동위원소 질량: 175.98404884

이름 및 식별자

우선 이름: 2,5-Difluorobenzoyl chloride
IUPAC: 2,5-difluorobenzoyl chloride
영어명: 2,5-Difluorobenzoyl chloride
분자식: C7H3ClF2O
분자량: 176.55

이름 및 동의어

2,5-Difluorobenzoyl chloride35730-09-7Benzoyl chloride, 2,5-difluoro-7NDW4XJ5SKEINECS 252-701-8DTXSID10189274RefChem:82848DTXCID40111765252-701-8RLRUKKDFNWXXRT-UHFFFAOYSA-N2,5-difluorobenzoylchlorideMFCD00009929

이름 더 보기

SKL12232,5-DifluorobenzoylChloride>2,5-Difluorobenzoylchloride98%2,5-Difluorobenzoyl chloride 98%2,5-Difluorobenzoic acid chloride2,5-Difluorobenzoyl chloride, 98% 5GR

UNII-7NDW4XJ5SKSCHEMBL3435352,5-difluoro-benzoyl chloride2,5-Difluorobenzoyl chloride, 98%SBB067916AKOS009156908JS-4111DB-005871

데이터베이스 식별자

CAS: 35730-09-7
PubChem CID: 588082
DTXSID: DTXSID10189274
UNII: 7NDW4XJ5SK
EC Number: 252-701-8
Nikkaji: J236.447F

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 11
형식 전하: 0
복잡도: 163

실험 및 물리화학적 성질

SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy

물리화학적 성질

녹는점: 73 · 73-74 °C
끓는 점: 92 · 92-93 °C/34 mmHg (lit.)
밀도: 1.425 g/mL · 1.425 g/mL at 25 °C (lit.)
굴절률: 1.514 · 1.514-1.516
인화점: 59 °C · 59 °C
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
색상: 무색~연황색
Specific Gravity: 1.425 · 1.425
BRN: 2046666 · 2046666
InChI: 1S/C7H3ClF2O/c8-7(11)5-3-4(9)1-2-6(5)10/h1-3H
InChIKey: RLRUKKDFNWXXRT-UHFFFAOYSA-N
SMILES: Fc1ccc(F)c(c1)C(Cl)=O

화학적 성질

clear yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H226 (89.8%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesFlam. Liq. 3 (89.8%)

안전 데이터

wgk: 3
ridadr: 3265
HS 번호: 29163990
risk_code: 34
hazard_code: C
safety_code: 45-36/37/39-25-26
포장분류: II
위험 등급: 8
위험 참고 사항: Corrosive
Hazard Classifications: Flam. Liq. 3Skin Corr. 1B
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

응용 분야

용도2,5-Difluorobenzoyl chloride has been used in the synthesis of:ethyl 4-(2′,5′-difluorobenzoyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate (JJ78:1)thiohydrazide