Isophthaloyl chloride

HCID 7451CAS 99-63-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
O=C(Cl)c1cccc(C(=O)Cl)c1
InChIKey
FDQSRULYDNDXQB-UHFFFAOYSA-N
분자식
C8H4Cl2O2
평균 분자량
203.02 g/mol
단동위원소 질량
201.95883473

이름 및 식별자

우선 이름
Isophthaloyl chloride
IUPAC
benzene-1,3-dicarbonyl chloride
영어명
1,3-Benzenedicarbonyl chloride
분자식
C8H4Cl2O2
분자량
0

이름 및 동의어

Isophthaloyl chlorideIsophthaloyl dichloride99-63-81,3-Benzenedicarbonyl dichloridem-Phthaloyl chlorideIsophthalic acid chloridem-Phthalic dichlorideIsophthalic acid dichlorideIsophthalic chloride1,3-BENZENEDICARBONYL CHLORIDEIsophthalyl dichlorideIsothaloyl chloride
이름 더 보기
Isophthalyl chloridem-Benzenedicarbonyl chlorideDichlorid kyseliny isoftalovemeta-Phthalyl dichloridem-Phthaloyl dichlorideDTXSID30266416A3LDJ6CL31,3-Benzenedicarboxylic acid, dichloride

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3.6
극성 표면적
34.1 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
2
무거운 원자 수
12

실험 및 물리화학적 성질

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

CRYSTALLINE SOLID

PRISMS FROM ETHER

Solubility · 2건

SOL IN ETHER & OTHER ORG SOLVENTS

SLIGHTLY SOL IN WATER & ALCOHOL

Flash Point356 °F OC

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 5건

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 · 1건

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 · 2건

Acute Tox. 4 (99.6%)

Acute toxicity (Dermal) - Category 4

독성 정보

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

안전 데이터

신호 어
Danger
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H312

화학 및 산업

용도 및 제조

Uses · 4건

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 · 2건

Plastics Material and Resin Manufacturing

1,3-Benzenedicarbonyl dichloride: ACTIVE

공급사50 곳

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]

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