CAS 55117-15-2 1-Chloro-2-(chloromethyl)-3-fluorobenzene (HCID 108675)

名称と識別子

優先名称: 1-Chloro-2-(chloromethyl)-3-fluorobenzene
IUPAC: 1-chloro-2-(chloromethyl)-3-fluorobenzene
現地名: 2-クロロ-6-フルオロベンジルクロリド
英語名: 2-Chloro-6-fluorobenzyl chloride
分子式: C7H5Cl2F
分子量: 179.02

名称と別名

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

名称をさらに表示

2-クロロ-6-フルオロベンジルクロリド1-(クロロメチル)-2-クロロ-6-フルオロベンゼン2-フルオロ-6-クロロベンジルクロリド1-クロロ-2-(クロロメチル)-3-フルオロベンゼン塩化2-クロロ-6-フルオロベンジル塩化物2-クロロ-6-フルオロベンジル CHLORIDE2-クロロ-6-フルオロベンジル chloride, 98%塩化2-クロロ-6-フルオロベンジルAKOS 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

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 0 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 1
重原子数: 10
形式電荷: 0
複雑度: 108

実験および物理化学的性質

Physical DescriptionOther Solid

物理化学的性質

融点: 7 °C · 7 °C
沸点: 208 · 208-210 °C
比重(密度): 1.401 g/mL · 1.401 g/mL at 25 °C (lit.)
蒸気圧: 83 Pa · 83Pa at 40℃
屈折率: 20 · n20/D 1.537(lit.)
闪点: 200 °F · 200 °F
貯蔵温度: Inert atmosphere,Room Temperature
外見: clear liquid
比重: 1.401 · 1.401
色: Colorless to Almost colorless
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
CAS データベース: 55117 · 55117-15-2(CAS DataBase Reference)
NISTの化学物質情報: 2 · 2-Chloro-6-fluorobenzyl chloride(55117-15-2)
EPAの化学物質情報: 1 · Benzene, 1-chloro-2-(chloromethyl)-3-fluoro- (55117-15-2)

化学的性質

化学的特性clear colorless liquid

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 3 件

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%)

安全データ

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
hs_code: 29039990
risk_code: 34-51/53
消防法: 危-4-3-III
hazard_code: C,Xi,N
hazard_note: Corrosive/Lachrymatory
safety_code: 26-36/37/39-45-61
hazard_class: 8
packing_group: III
Hazard Classifications: Skin Corr. 1B
ストレージクラス: 8A - Combustible corrosive hazardous materials

化学と産業

用途と製造

U.S. Production2023: <50,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 件

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

応用分野 · 2 件

用途有機合成原料。

使用2-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