2-Bromo-1-(thiophen-2-yl)ethan-1-one

HCID 2776372CAS 10531-41-6

기본 정보

표준 SMILES: O=C(CBr)c1cccs1
InChIKey: UHWNENCHFSDZQP-UHFFFAOYSA-N
분자식: C6H5BrOS
평균 분자량: 205.07 g/mol
단동위원소 질량: 203.92444788

이름 및 식별자

우선 이름: 2-Bromo-1-(thiophen-2-yl)ethan-1-one
IUPAC: 2-bromo-1-thiophen-2-ylethanone
영어명: 2-(2-Bromoacetyl)thiophene
분자식: C6H5BrOS
분자량: 205.07

이름 및 동의어

2-Bromo-1-(thiophen-2-yl)ethan-1-oneRefChem:466043638-953-510531-41-62-(2-Bromoacetyl)thiophene2-Bromo-1-(thiophen-2-yl)ethanone2-(bromoacetyl)thiophene2-Bromo-1-(2-thienyl)ethanone2-BROMO-1-(2-THIENYL)-1-ETHANONE2-Bromo-1-thiophen-2-yl-ethanone2-bromo-1-thiophen-2-ylethanoneEthanone, 2-bromo-1-(2-thienyl)-

이름 더 보기

TIMTEC-BB SBB0059042-(Bromoacetyl)thiophene97%2-(Bromoacetyl)thiophene 97%2-(2-Bromoethyl)Thiophene98%2-(2-Bromoacetyl)thiophene97%

MFCD02677721bromoacetylthiophene2-(bromoacetyl)-thiopheneSCHEMBL6580972-bromo-1-(2-thienyl)ethan-1-ones12025CS-0186568Ethanone, 2-bromo-1-(thienyl)-

데이터베이스 식별자

CAS: 10531-41-6
PubChem CID: 2776372
DTXSID: DTXSID30380024
EC Number: 638-953-5
Nikkaji: J947.663F

물성

구조 계산 물성

XLogP: 2
극성 표면적: 45.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 9
형식 전하: 0
복잡도: 116

물리화학적 성질

녹는점: 29 · 29-33 °C(lit.)
끓는 점: 100 · 100-105°C 0,5mm
밀도: 1.62 · 1.62
인화점: 230 °F · >230 °F
저장 조건: -20 °C · -20°C
물리적 상태: 니들 크리스탈
색상: Off white/cream
InChI: 1S/C6H5BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChIKey: UHWNENCHFSDZQP-UHFFFAOYSA-N
SMILES: BrCC(=O)c1cccs1

화학적 성질

white to light yellow crystal powde

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 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 (85.1%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29349990
risk_code: 22-34-43
hazard_code: C,T
safety_code: 26-36/37/39-45
위험 등급: 8
위험 참고 사항: Keep Cold/Toxic/Stench
Hazard Classifications: Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2Skin Sens. 1
스토리지 클래스: 11 - Combustible Solids