1,4-Dicyanobenzene

HCID 12172
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기본 정보

CAS
623-26-7
표준 SMILES
N#Cc1ccc(C#N)cc1
InChIKey
BHXFKXOIODIUJO-UHFFFAOYSA-N
분자식
C8H4N2
평균 분자량
128.13 g/mol
단동위원소 질량
128.03744813

개요

occupational marker compound

이름 및 식별자

우선 이름
1,4-Dicyanobenzene
IUPAC
benzene-1,4-dicarbonitrile
영어명
1,4-Dicyanobenzene
분자식
C8H4N2
분자량
128.13

이름 및 동의어

Terephthalonitrile1,4-Dicyanobenzene623-26-71,4-BENZENEDICARBONITRILE4-Cyanobenzonitrile1,4-Benzodinitrilep-PhthalodinitrileTerephthalodinitrilep-BenzenedinitrileTereftalodinitrilTerephthalic acid dinitrileTereftalonitril
이름 더 보기
BENZENE-1,4-DICARBONITRILE1,4-Dycyanobenzenep-Dicyanobenzenep-Pdnp-Dicyanobezene4-DicyanobenzeneP-PHTHALONITRILE
TerephthalodinitrilNitril kyseliny tereftaloveE6ITH5CIS3NSC-78439NSC-144977DTXSID1060768RefChem:416739DTXCID7043299

데이터베이스 식별자

CAS
623-26-7
PubChem CID
12172
DTXSID
DTXSID1060768
ChEMBL
CHEMBL3248224
UNII
E6ITH5CIS3
EC Number
210-783-2
Nikkaji
J2.091E

물성

구조 계산 물성

XLogP
0.9
극성 표면적
47.6 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
0
무거운 원자 수
10

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles
SpringerMaterials Properties13C nuclear magnetic resonance spectrum
LogP0.93
Vapor Pressure0.00569 [mmHg]
Physical DescriptionLight yellow powder; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점
221 · 221-225 °C (lit.)
끓는 점
227.54 °C · 227.54°C (rough estimate)
밀도
1.3 g/cm3 · 1.3g/cm3(25℃)
증기 밀도
4.42 · 4.42
굴절률
1.6231 · 1.6231 (estimate)
저장 조건
Sealed in dry,Room Temperature

화학적 성질

biege powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 21-03-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/27971

1,4-Benzenedicarbonitrile: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1건

Changes of the liver, thyroid, and kidney observed in 28-day oral study of rats; Oral LD50 (rat) approximately 2,000 mg/kg; [ToxPlanet: JECDB] A mild eye irritant; Causes ptosis, muscle weakness, and acute pulmonary edema in intraperitoneal lethal-dose studies of rats; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See m-Phthalodinitrile.

Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
CZ1925000
ridadr
3439
독성
LD50 orl-rat: >6400 mg/kg ZAARAM 19,225,69
HS 번호
29269095

화학 및 산업

용도 및 제조

UsesOccupational marker compound. [ChemIDplus]
General Manufacturing Information1,4-Benzenedicarbonitrile: ACTIVE

응용 분야

용도1,4-dicyanobenzene as a new internal standard in utilizing solid-state infrared intensity methods for the determination of thiocyanate bonding. Used as photosensitizer in [2+2] cycloadditions, nitrile building block.

상·하류 제품 정보

공급사100 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]
上海协瑞实业发展有限公司021-64695700 · [email protected]
石家庄华锐科技有限公司0311-85106800 · [email protected]

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