1-Chloro-2-(chloromethyl)-3-fluorobenzene (HCID 108675)

이름 및 식별자

우선 이름: 1-Chloro-2-(chloromethyl)-3-fluorobenzene
IUPAC: 1-chloro-2-(chloromethyl)-3-fluorobenzene
현지명: 클로로(2-)-6-플로로벤질클로라이드
영어명: 2-Chloro-6-fluorobenzyl chloride
분자식: C7H5Cl2F
분자량: 179.02

이름 및 동의어

2-Chloro-6-fluorobenzyl chloride1-Chloro-2-(chloromethyl)-3-fluorobenzeneBenzene, 1-chloro-2-(chloromethyl)-3-fluoro-UNII-A581KL6ZPNDTXSID80388551-Chloro-2-chloromethyl-3-fluorobenzenealpha,2-Dichloro-6-fluorotolueneEINECS 259-487-5A581KL6ZPNDTXCID6018855MJGOLNNLNQQIHR-UHFFFAOYSA-EC 259-487-5

이름 더 보기

클로로(2-)-6-플로로벤질클로라이드2-클로로-6-플루오로벤질 클로라이드AKOS BBS-00004004LABOTEST-BB LT02085021à,2-dichloro-6-fluorotoluene2,α-dichloro-6-fluorotoluene2-Chloro-6-Fluorochlorobenzyl2-Fluoro-6-chlorobenzyl chloride2-Chloro-6-fluorobenzylchloride97%2-Chloro-6-fluorobenzyl chloride 97%

.ALPHA.,2-DICHLORO-6-FLUOROTOLUENERefChem:75343InChI=1/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2MJGOLNNLNQQIHR-UHFFFAOYSA-N55117-15-21-Chloro-2-chloromethyl-3-fluoro-benzeneMFCD000008962-chloro-6-fluorobenzylchloride

데이터베이스 식별자

CAS: 55117-15-2
PubChem CID: 108675
DTXSID: DTXSID8038855
ChEMBL: CHEMBL3186001
UNII: A581KL6ZPN
EC Number: 259-487-5
Nikkaji: J208.254C

물성

구조 계산 물성

XLogP: 3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 108

실험 및 물리화학적 성질

Physical DescriptionOther Solid

물리화학적 성질

녹는점: 7 °C · 7 °C
끓는 점: 208 · 208-210 °C
밀도: 1.401 g/mL · 1.401 g/mL at 25 °C (lit.)
증기압: 83 Pa · 83Pa at 40℃
굴절률: 20 · n20/D 1.537(lit.)
인화점: 200 °F · 200 °F
저장 조건: Inert atmosphere,Room Temperature
물리적 상태: 투명한 액체
Specific Gravity: 1.401 · 1.401
색상: 무색 내지 거의 무색
BRN: 386840 · 386840
InChI: 1S/C7H5Cl2F/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2
InChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-N
SMILES: Fc1cccc(Cl)c1CCl
LogP: 3.64 · 3.64
NIST: 2 · 2-Chloro-6-fluorobenzyl chloride(55117-15-2)
EPA: 1 · Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- (55117-15-2)

화학적 성질

clear colorless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 77 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 3건

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Cease Manufacture Update: 03-05-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/6762

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29039990
risk_code: 34-51/53
hazard_code: C,Xi,N
safety_code: 26-36/37/39-45-61
포장분류: III
위험 등급: 8
위험 참고 사항: Corrosive/Lachrymatory
Hazard Classifications: Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-: ACTIVE

응용 분야 · 1건

용도2-Chloro-6-fluorobenzyl chloride was used:as alkylating reagent during the synthesis of 3-benzylsulfanyl derivatives of 1,2,4-triazole and 4-methyl-1,2,4-triazolein the preparataion of 2-chloro-6-fluorobenzylamine, required for the synthesis of 9-substituted adeninein the preparation of aprinocid via reaction with adenine