1-Bromo-2-methylpropane (HCID 6555)

이름 및 식별자

우선 이름: 1-Bromo-2-methylpropane
IUPAC: 1-bromo-2-methylpropane
현지명: 이소부틸브로마이드
영어명: 1-Bromo-2-methylpropane
분자식: C4H9Br
분자량: 137.02

이름 및 동의어

1-Bromo-2-methylpropane78-77-3ISOBUTYL BROMIDEiso-Butyl bromidePropane, 1-bromo-2-methyl-i-Butyl bromideCCRIS 349DTXSID1052539NSC 8416EINECS 201-141-2UNII-5OEC0BW9875OEC0BW987

이름 더 보기

1-브로모-2-메틸프로페인브로민화아아이소뷰틸브로민화아아이소뷰틸(브롬화아이소뷰틸)이소부틸브로마이드브로민화아아이소뷰틸1-브로모-2-메틸프로판bromoisobutaneIsobutylbromid1-Bromoisobutane1-Bromo-iso-butameIsobutylbromide,97%2-MethylpropylbromideISO BUTYL BROMIDE pure

iso-C4H9BrAI3-18130NSC-8416ISOBUTYL BROMIDE [MI]DTXCID2031112EC 201-141-2UN 23422Methylpropyl bromide

데이터베이스 식별자

CAS: 78-77-3
PubChem CID: 6555
DTXSID: DTXSID1052539
ChEMBL: CHEMBL346532
UNII: 5OEC0BW987
EC Number: 201-141-2
Nikkaji: J1.482F

물성

구조 계산 물성

XLogP: 2.3
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 1
무거운 원자 수: 5
형식 전하: 0
복잡도: 17.6

실험 및 물리화학적 성질

Chemical ClassesFlammable agents - 3rd degree

SolventsSolvents -> Brominated Solvents

SpringerMaterials PropertiesBoiling point

LogP2.53

Vapor Pressure72.0 [mmHg]

Physical DescriptionColorless liquid; [Merck Index] Light yellow liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -119 °C · -119 °C
끓는 점: 90 · 90-92 °C(lit.)
밀도: 1.26 g/mL · 1.26 g/mL at 20 °C(lit.)
증기압: 41 hPa · 41 hPa (20 °C)
굴절률: 20 · n20/D 1.435(lit.)
인화점: 65 °F · 65 °F
저장 조건: 30 °C · Store below +30°C.
용해도: 0.51 g/l · 0.51g/l 약간 용해됨
물리적 상태: 액체
색상: 무색의
수용성: 0.51 g/L · 0.51g/L(18℃)
Merck: 14 · 14,5135
BRN: 1730915 · 1730915
Henry's Law Constant: 4.2 · 4.2×10-4 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975)
Dielectric constant: 4 · 4.0(-7℃)
안정성: 휘발성 물질
InChI: 1S/C4H9Br/c1-4(2)3-5/h4H,3H2,1-2H3
InChIKey: HLVFKOKELQSXIQ-UHFFFAOYSA-N
SMILES: CC(C)CBr
NIST: 1 · Propane, 1-bromo-2-methyl-(78-77-3)
EPA: 1 · Propane, 1-bromo-2-methyl- (78-77-3)

화학적 성질

CLEAR LIQUID

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 99 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225: Highly Flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Regulatory Information · 4건

Chemical: Propane, 1-bromo-2-methyl-

Status: Active Update: 01-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10737

1-Bromo-2-methylpropane: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Bromobutane and 1-Bromopropane.

Hazard Classes and Categories · 3건

Flam. Liq. 2 (100%)

Flammable liquids - Category 2

Flammable agents - 3rd degree

독성 정보

Adverse EffectsNeurotoxin - Acute solvent syndrome

Toxicity DataLC50 (mouse) = 50,500 mg/m3

안전 데이터

wgk: 3
tsca: TSCA listed
rtecs: TX4140000
ridadr: UN 2342 (BROMOMETHYLPROPANES)
독성: LD50 orally in Rabbit: > 2000 mg/kg
HS 번호: 29033036
risk_code: 11-37-36/37/38
hazard_code: F,Xi
safety_code: 16-23-37/39-26
포장분류: II
위험 등급: 3
기존화학 물질: KE-03681
F 고인화성물질: 8
Hazard Classifications: Flam. Liq. 2
스토리지 클래스: 3 - Flammable liquids

화학 및 산업

용도 및 제조

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

General Manufacturing InformationPropane, 1-bromo-2-methyl-: ACTIVE

응용 분야

용도1-Bromo-2-methylpropane is used as a synthetic reagent for the preparation of 1-ethyl-1,3-isobutylimidazolium bromide by reaction with 1-ethylimidazole.