4-Cyanopyridine (HCID 7506)

개요

4-cyanopyridine is a cyanopyridine carrying the cyano group at position 4.

이름 및 식별자

우선 이름: 4-Cyanopyridine
IUPAC: pyridine-4-carbonitrile
현지명: 4-시아노피린딘
영어명: 4-Cyanopyridine
분자식: C6H4N2
분자량: 104.11

이름 및 동의어

4-CYANOPYRIDINEIsonicotinonitrile100-48-14-Pyridinecarbonitrilepyridine-4-carbonitrileIsonicotinic acid nitrileDTXSID9041528NSC-60681BY3226D010DTXCID7021528RefChem:526619202-856-2

이름 더 보기

4-사이아노피리딘4-시아노피린딘이소니코티노니트릴4-cyanopyridinCyanopyridine,4-AKOS BBS-00004486IsonicotinonitrilTIMTEC-BB SBB008923

4-Pyridinenitrilegamma-Cyanopyridinep-cyanopyridineMFCD00006417.gamma.-CyanopyridineEINECS 202-856-2GPHQHTOMRSGBNZ-UHFFFAOYSA-NSC60681

데이터베이스 식별자

CAS: 100-48-1
PubChem CID: 7506
DTXSID: DTXSID9041528
ChEMBL: CHEMBL504918
ChEBI: CHEBI:28020
UNII: BY3226D010
EC Number: 202-856-2
Nikkaji: J39.102F

물성

구조 계산 물성

XLogP: 0.5
극성 표면적: 36.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 105

실험 및 물리화학적 성질

Chemical ClassesNitrogen Compounds -> Nitriles

SpringerMaterials PropertiesCoriolis coupling

Vapor Pressure0.31 [mmHg]

Physical Description · 2건

Other Solid

Off-white crystals with a pungent odor; [Alfa Aesar MSDS]

물리화학적 성질

녹는점: 76 · 76-79 °C(lit.)
끓는 점: 196 °C · 196 °C
밀도: 1.1145 · 1.1145 (rough estimate)
증기압: 41.9 Pa · 41.9Pa at 25℃
굴절률: 1.5242 · 1.5242 (estimate)
인화점: 88 °C · 88 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 40 g/L · 40g/L
산도 계수 (pKa): 1 · pK1:1.90(+1) (25°C)
물리적 상태: 결정 또는 분말
색상: 흰색에서 황백색까지
수용성: 3.2 g/100ml · 3.2 g/100ml (16.4 ºC)
BRN: 107712 · 107712
Henry's Law Constant: 1.1 · 1.1×101 mol/(m3Pa) at 25℃, Abraham et al. (1994)
안정성: 안정적인. 강염기, 강산화제, 강산과 호환되지 않습니다.
InChI: 1S/C6H4N2/c7-5-6-1-3-8-4-2-6/h1-4H
InChIKey: GPHQHTOMRSGBNZ-UHFFFAOYSA-N
SMILES: N#Cc1ccncc1
LogP: 0.46 at · 0.46 at 25℃
NIST: 4 · 4-Pyridinecarbonitrile(100-48-1)
EPA: 4 · 4-Pyridinecarbonitrile (100-48-1)

화학적 성질

beige solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (94.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 79 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 4건

Chemical: 4-Pyridinecarbonitrile

4-Pyridinecarbonitrile is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Pyridinecarbonitrile 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: 03-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23645

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

Hazards SummaryA strong eye irritant; Harmful by ingestion; [Alfa Aesar MSDS] See m-Phthalodinitrile. See Pyridine.

Hazard Classes and CategoriesAcute Tox. 4 (94.9%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: 3276
HS 번호: 29333999
risk_code: 20/21/22
hazard_code: Xn
safety_code: 36/37-24/25
포장분류: III
기존화학 물질: KE-29933
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

용도 및 제조

U.S. Production2023: 75,000 - <500,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2건

All Other Basic Organic Chemical Manufacturing

4-Pyridinecarbonitrile: ACTIVE

응용 분야 · 1건

용도4-Cyanopyridine is used as an intermediate in organic synthesis and pharmaceutical substances like isonicotinylhydrazide, which is used in the treatment of tuberculosis. It is used as a precursor for the preparation of isonicotinic acid and 4-diemthylaminopyridine (DMAP). It is involved in the synthesis of 6-methyl-2-pyridin-4-yl-pyrimidin-4-ylamine by reacting with acetonitrile.

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]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

불러오는 중…

4-시아노피린딘

기본 정보

개요