Isophthaloyl chloride

HCID 7451CAS 99-63-8

基本情報

標準SMILES
O=C(Cl)c1cccc(C(=O)Cl)c1
InChIKey
FDQSRULYDNDXQB-UHFFFAOYSA-N
分子式
C8H4Cl2O2
平均分子量
203.02 g/mol
単同位体質量
201.95883473

名称と識別子

優先名称
Isophthaloyl chloride
IUPAC
benzene-1,3-dicarbonyl chloride
英語名
1,3-Benzenedicarbonyl chloride
分子式
C8H4Cl2O2
分子量
0

名称と別名

Isophthaloyl chlorideIsophthaloyl dichloride99-63-81,3-Benzenedicarbonyl dichloridem-Phthaloyl chlorideIsophthalic acid chloridem-Phthalic dichlorideIsophthalic acid dichlorideIsophthalic chloride1,3-BENZENEDICARBONYL CHLORIDEIsophthalyl dichlorideIsothaloyl chloride
名称をさらに表示
Isophthalyl chloridem-Benzenedicarbonyl chlorideDichlorid kyseliny isoftalovemeta-Phthalyl dichloridem-Phthaloyl dichlorideDTXSID30266416A3LDJ6CL31,3-Benzenedicarboxylic acid, dichloride

データベース識別子

CAS
99-63-8
PubChem CID
7451
DTXSID
DTXSID3026641
ChEMBL
CHEMBL1885739
UNII
6A3LDJ6CL3
EC Number
202-774-7
Nikkaji
J4.971I

物性

構造計算による物性

XLogP
3.6
極性表面積
34.1 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
2
重原子数
12

実験および物理化学的性質

Chemical ClassesToxic Gases & Vapors -> Other Toxic Gases & Vapors
SpringerMaterials PropertiesBoiling point
Density1.3880 @ 17 °C/4 °C
Color/Form · 2 件

CRYSTALLINE SOLID

PRISMS FROM ETHER

Solubility · 2 件

SOL IN ETHER & OTHER ORG SOLVENTS

SLIGHTLY SOL IN WATER & ALCOHOL

Flash Point356 °F OC

安全と法規制

GHS分類

GHS Classification · 6 件

This chemical does not meet GHS hazard criteria for 0.4% (1 of 269) of reports.

Danger

H312 (99.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 269 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

危険有害性情報

Regulatory Information · 5 件

Chemical: 1,3-Benzenedicarbonyl dichloride

Regulation (EC) No 1935/2004 (amended)

1,3-Benzenedicarbonyl dichloride is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,3-Benzenedicarbonyl dichloride 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: Active Update: 07-05-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/13191

Isophthaloyl dichloride: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 件

Reacts with water; [Hawley] A skin and eye irritant; [HSDB] Evolves HCl upon reaction with water; A moderate to severe skin irritant; [CHEMINFO] A corrosive substance that can cause injury to the skin, eyes, and respiratory tract; Inhalation may cause edema and chemical pneumonitis; [MSDSonline]

Hazard Classes and Categories · 2 件

Acute Tox. 4 (99.6%)

Acute toxicity (Dermal) - Category 4

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Human Toxicity ExcerptsIRRITANT TO EYES & SKIN.
Toxicity DataLC (rat) > 31,000 mg/m3/4h

安全データ

注意喚起語
危険
危険有害性情報
コード 危険有害性情報 危険有害性クラス 区分 注意喚起語 シンボル P コード H312

化学と産業

用途と製造

Uses · 4 件

Used in dyes, synthetic fibers, resins, films, and glass coatings; [HSDB]

Textiles (Fiber & Fabric Manufacturing) [Category: Industry]

INTERMEDIATE; DYES; SYNTHETIC FIBERS; RESINS; FILMS; PROTECTIVE COATINGS; LABORATORY REAGENT

NONTHROMBOGENIC GLASS COATING

U.S. Production2023: 100,000 - <250,000 lb
Industry UsesIntermediate
General Manufacturing Information · 2 件

Plastics Material and Resin Manufacturing

1,3-Benzenedicarbonyl dichloride: ACTIVE

サプライヤー50 社

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
合肥翰刚医药科技有限公司+8618062405514 · [email protected]

関連反応

66 件

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