2-Bromo-2-methylpropionyl bromide (HCID 88685)

이름 및 식별자

우선 이름: 2-Bromo-2-methylpropionyl bromide
IUPAC: 2-bromo-2-methylpropanoyl bromide
현지명: 2-브롬-2-메틸프로피오닐브로마이드
영어명: 2-Bromoisobutyryl Bromide
분자식: C4H6Br2O
분자량: 229.9

이름 및 동의어

2-Bromo-2-methylpropionyl bromide20769-85-12-Bromoisobutyryl bromide2-Bromo-2-methylpropanoyl bromidePropanoyl bromide, 2-bromo-2-methyl-alpha-Bromoisobutyryl bromidebromoisobutyryl bromide.alpha.-Bromoisobutyryl bromide627F9N9DYA2-bromoisobutyric bromidebromodimethylacetyl bromideEINECS 244-017-3

이름 더 보기

2-브롬-2-메틸프로피오닐브로마이드2-브롬이소부티릴브로마이드BIBBα-Bromoisobutyryl bromideα-Bromoisobutyryl bromideA-BROMOISOBUTYRYL BROMIDE2-Bromoisobutyric acid bromide2-Bromo-2-methyl2-broMoisobutylyl broMide

2-bromoisobutanoyl bromideAI3-28200DTXSID7045077EC 244-017-3PROPIONYL BROMIDE, 2-BROMO-2-METHYL-2bromoisobutyryl bromideRefChem:466170DTXCID5025077

데이터베이스 식별자

CAS: 20769-85-1
PubChem CID: 88685
DTXSID: DTXSID7045077
UNII: 627F9N9DYA
EC Number: 244-017-3
Nikkaji: J93.725H

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 17.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 1
회전 가능 결합 수: 1
무거운 원자 수: 7
형식 전하: 0
복잡도: 87.7

실험 및 물리화학적 성질

Chemical ClassesToxic Gases & Vapors -> Acid Halides

SpringerMaterials PropertiesChemical shift

Physical DescriptionColorless liquid with an acrid odor; [Alfa Aesar MSDS]

물리화학적 성질

끓는 점: 162 · 162-164 °C(lit.)
밀도: 1.86 g/mL · 1.86 g/mL at 20 °C
굴절률: 20 · n20/D 1.507(lit.)
인화점: 110 °C · >110°C
저장 조건: 30 °C · Store below +30°C.
용해도: 아세톤 및 이황화탄소와 혼합 가능.
물리적 상태: 액체
Specific Gravity: 1.86 · 1.860 (20/4℃)
색상: 맑은 노란색에서 노란색까지
수용성: 물과 반응
BRN: 1746128 · 1746128
안정성: 안정적이지만 습기와 반응할 수 있습니다. 물, 강산화제, 강염기와 혼합할 수 없습니다.
InChI: 1S/C4H6Br2O/c1-4(2,6)3(5)7/h1-2H3
InChIKey: YOCIJWAHRAJQFT-UHFFFAOYSA-N
SMILES: CC(C)(Br)C(Br)=O
NIST: 2 · Propanoyl bromide, 2-bromo-2-methyl-(20769-85-1)
EPA: 2 · Propanoyl bromide, 2-bromo-2-methyl- (20769-85-1)

화학적 성질

colourless liquid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (86.3%): 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 51 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 20-12-2012 https://echa.europa.eu/registration-dossier/-/registered-dossier/13206

Hazards Summary · 1건

Causes burns; May cause skin sensitization; Harmful by ingestion; Possible human mutagen; [ECHA REACH Registrations] Corrosive to rabbit skin; 95% sensitization rate in guinea pig maximization study; [EPA - TSCATS] Reacts violently with water; Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]

Hazard Classes and CategoriesAcute Tox. 4 (86.3%)

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 3265 8/PG 2
HS 번호: 29159080
risk_code: 22-34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: II
위험 등급: 8
기존화학 물질: KE-03654
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

용도 및 제조

UsesUsed to make fine and large scale chemicals; [ECHA REACH Registrations]

General Manufacturing InformationPropanoyl bromide, 2-bromo-2-methyl-: ACTIVE

응용 분야 · 1건

용도2-Bromoisobutyryl bromide is used to prepare N-protected halodienamide, which provides four- and five-membered lactams in the presence of copper(I) and a tertiary amine. Further, it is used as atom transfer radical polymerization(ATRP) initiator for functionalization of hydroxyl groups present on the surface of graphene oxide. It is also used in preparation of polycaprolactone macroinitiators through reaction with oligomeric caprolactone diol and mesoporous silica nanoparticles with ATRP initiator anchored on the exterior surface.