2-티에닐아세토니트릴

2-Thienylacetonitrile

HCID 72880CAS 20893-30-5
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
N#CCc1cccs1
InChIKey
CLSHQIDDCJTHAJ-UHFFFAOYSA-N
분자식
C6H5NS
평균 분자량
123.18 g/mol
단동위원소 질량
123.01427016

개요

2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It is functionally related to an acetonitrile.

이름 및 식별자

우선 이름
2-Thienylacetonitrile
IUPAC
2-thiophen-2-ylacetonitrile
현지명
2-티에닐아세토니트릴
영어명
2-Thiopheneacetonitrile
분자식
C6H5NS
분자량
123.18

이름 및 동의어

2-Thiopheneacetonitrile20893-30-52-ThienylacetonitrileThiophene-2-acetonitrile2-(Cyanomethyl)thiophene2-cyanomethylthiophenethiophen-2-yl-acetonitrileDTXSID5066663CHEBI:27382EINECS 244-104-6AI3-08540EC 244-104-6
이름 더 보기
2-티오펜아세토나이트릴2-티에닐아세토니트릴2-시아노메틸티오펜2-티오펜아세토니트릴티오펜-2-아세토니트릴thiophen-2-acetonitrile2-(2-Thienyl)acetonitrile2-Thiopheneacetonitrile 97%2-Thiopheneacetonitrile,96%Thiophene-2-acetonitrile >
RefChem:483737DTXCID5036395244-104-62-(Thiophen-2-yl)acetonitrile2-thiophen-2-ylacetonitrileC6H5NSThien-2-ylacetonitrileMFCD00005453

데이터베이스 식별자

CAS
20893-30-5
PubChem CID
72880
DTXSID
DTXSID5066663
ChEBI
CHEBI:27382
UNII
3CSN23QD57
EC Number
244-104-6
Nikkaji
J25.372C

물성

구조 계산 물성

XLogP
1.3
극성 표면적
52 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
2
회전 가능 결합 수
1
무거운 원자 수
8

물리화학적 성질

녹는점
50 · 50-51 °C
끓는 점
115 · 115-120 °C/22 mmHg (lit.) 235-238 °C (lit.)
밀도
1.157 g/mL · 1.157 g/mL at 25 °C (lit.)
굴절률
20 · n20/D 1.542(lit.)
인화점
215 °F · 215 °F
저장 조건
Keep in dark place,Inert atmosphere,Room temperature

화학적 성질

clear colourless to slightly brown liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 153 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 14-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12193
Hazard Classes and CategoriesAcute Tox. 3 (69.9%)

안전 데이터

wgk
3
tsca
TSCA listed
ridadr
UN 3276 6.1/PG 3
HS 번호
29349990
risk_code
20/21/22-36/37/38
hazard_code
Xn,Xi,T

화학 및 산업

용도 및 제조

General Manufacturing Information2-Thiopheneacetonitrile: ACTIVE

응용 분야

용도2-Thiopheneacetonitrile was used as reagent during the synthesis of monodisperse Au/Au@polythiophene core/shell nanospheres.

상·하류 제품 정보

공급사50 곳

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]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
青岛司臣生物科技有限公司15066846586 15712728865 13713086161 15066846586 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

추가 설명

정의ChEBI: 2-thienylacetonitrile is a nitrile that is acetonitrile where one of the methyl hydrogens is substituted by a 2-thienyl group. It is a nitrile and a member of thiophenes. It derives from an acetonitrile.

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