CAS 18791-99-6 4-Bromothiophene-2-carbonitrile (HCID 14292355)

기본 정보

CAS: 18791-99-6
표준 SMILES: N#Cc1cc(Br)cs1
InChIKey: DJYVXBJLHPKUKS-UHFFFAOYSA-N
분자식: C5H2BrNS
평균 분자량: 188.05 g/mol
단동위원소 질량: 186.90913216

이름 및 식별자

우선 이름: 4-Bromothiophene-2-carbonitrile
IUPAC: 4-bromothiophene-2-carbonitrile
영어명: 4-Bromothiophene-2-carbonitrile
분자식: C5H2BrNS
분자량: 188.05

이름 및 동의어

4-bromothiophene-2-carbonitrile18791-99-64-Bromo-2-cyanothiopheneDTXSID90558540RefChem:520587DTXCID00509321690-832-6MFCD001149514-bromo-2-cyanothiophen2-THIOPHENECARBONITRILE, 4-BROMO-4-bromo-2-thiophenecarbonitrileSCHEMBL1492367

이름 더 보기

4-Bromo-2-cyanothiophene >4-Bromothiophene-2-carbonitrile4-Bromothiophene-2-carbonitrile98%4-Bromothiophene-2-carbonitrile 98%4-Bromothiophene-2-carbonitrile ISO 9001：2015 REACH

4-bromo-2-thiophene carbonitrileSTK6944404-bromothiophene-2-carbonitrile, AldrichCPRB4212CS-00538992-Thiophenecarbonitrile,4-bromo-4-bromo-thiophene-2-carbonitrileFT-0678174

데이터베이스 식별자

CAS: 18791-99-6
PubChem CID: 14292355
DTXSID: DTXSID90558540
EC Number: 690-832-6
Nikkaji: J1.360.597A

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 52 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 0
무거운 원자 수: 8
형식 전하: 0
복잡도: 128

물리화학적 성질

녹는점: 47 to · 47.0 to 51.0 °C
끓는 점: 230.4 · 230.4±20.0 °C(Predicted)
밀도: 1.82 · 1.82±0.1 g/cm3(Predicted)
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
물리적 상태: powder to crystal
색상: 흰색에서 밝은 노란색
InChI: 1S/C5H2BrNS/c6-4-1-5(2-7)8-3-4/h1,3H
InChIKey: DJYVXBJLHPKUKS-UHFFFAOYSA-N
SMILES: Brc1csc(c1)C#N

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302+H332 (90.5%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oral; acute toxicity, inhalation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: WGK 3
HS 번호: 2934999090
risk_code: 22-37/38-41
hazard_code: Xi,Xn
safety_code: 26-39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 InhalationAcute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
스토리지 클래스: 11 - Combustible Solids