2-Bromopropiophenone

HCID 16452CAS 2114-00-3

기본 정보

표준 SMILES: CC(Br)C(=O)c1ccccc1
InChIKey: WPDWOCRJBPXJFM-UHFFFAOYSA-N
분자식: C9H9BrO
평균 분자량: 213.07 g/mol
단동위원소 질량: 211.98367701

이름 및 식별자

우선 이름: 2-Bromopropiophenone
IUPAC: 2-bromo-1-phenylpropan-1-one
영어명: 2-Bromopropiophenone
분자식: C9H9BrO
분자량: 213.07

이름 및 동의어

2-Bromopropiophenonealpha-Bromopropiophenone1-Propanone, 2-bromo-1-phenyl-alpha-Methylphenacyl bromide.alpha.-BromopropiophenoneEINECS 218-307-5BRN 0508550alpha-Bromoethyl phenyl ketone.alpha.-Methylphenacyl bromide.alpha.-Bromoethyl phenyl ketoneDTXSID108709384-07-00-00684 (Beilstein Handbook Reference)

이름 더 보기

tl336TL 336NSC 89689WLN: EY1&VRBROMPROPIOPHENONEBromophenylacetone-BromopropiophenoneB-Bromopropiophenone

RefChem:85901DTXCID90818616218-307-5WPDWOCRJBPXJFM-UHFFFAOYSA-N2114-00-32-bromo-1-phenylpropan-1-one1-Benzoyl-1-bromoethane2-Bromo-1-phenyl-1-propanone

데이터베이스 식별자

CAS: 2114-00-3
PubChem CID: 16452
DTXSID: DTXSID10870938
UNII: 75SCT47BB6
EC Number: 218-307-5
Nikkaji: J31.122G

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 2
무거운 원자 수: 11
형식 전하: 0
복잡도: 138

실험 및 물리화학적 성질

SpringerMaterials PropertiesOptical coefficient

물리화학적 성질

끓는 점: 245 · 245-250 °C (lit.)
밀도: 1.4 g/mL · 1.4 g/mL at 25 °C (lit.)
굴절률: 20 · n20/D 1.571(lit.)
인화점: 230 °F · >230 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올
물리적 상태: 기름
Specific Gravity: 1.4 · 1.4
색상: Clear Pale Yellow to Green
수용성: 불용성
BRN: 508550 · 508550
안정성: 감광성
LogP: 2.54 · 2.540 (est)
NIST: 1 · 1-Propanone, 2-bromo-1-phenyl-(2114-00-3)
EPA: 1 · 1-Propanone, 2-bromo-1-phenyl- (2114-00-3)

화학적 성질

clear yellow to greenish liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information2-Bromopropiophenone: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (89.1%)

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: UG8400000
ridadr: UN 2810 6.1/PG 2
독성: mouse,LCLo,inhalation,1600mg/m3/10M (1600mg/m3),National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942,
HS 번호: 29147090
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39-37/39
포장분류: Ⅲ
위험 등급: 6.1
F 고인화성물질: 19

화학 및 산업

용도 및 제조

General Manufacturing Information1-Propanone, 2-bromo-1-phenyl-: INACTIVE

응용 분야 · 2건

용도2-Bromopropiophenone (α-Bromopropiophenone) may be used for the synthesis of 2-phenylmorpholinols. It may also be used in the synthesis of N-phenacylammonium salts [N-(α-benzoylbenzyl)-, N-(1-benzoylethyl)-, N-phenacyl-, pyrazinium, 3-bromoquinolinium, benzothiazolium, or p-cyanopyridinium hexafluoroantimonates].

일반 설명2-Bromopropiophenone (α-Bromopropiophenone) is an α-bromoketone. It participates in the manufacturing process of 1-acetamido-3-methyl-2-phenylimidazo[1,2-a]pyridinium bromide.