2-Ethylhexyl bromide (HCID 86804)

이름 및 식별자

우선 이름: 2-Ethylhexyl bromide
IUPAC: 3-(bromomethyl)heptane
현지명: 1-브로모-2-에틸헥산
영어명: 2-Ethylhexyl bromide
분자식: C8H17Br
분자량: 193.12

이름 및 동의어

2-Ethylhexyl bromide3-(Bromomethyl)heptane18908-66-21-Bromo-2-ethylhexaneHeptane, 3-(bromomethyl)-2-EthylhexylbromideMFCD000002202-Ethyl-1-hexyl bromide1398065-97-8N280JW4C4W2-Ethyl-1-hexyl Bromide; 2-Ethylhexyl Bromide; 3-(Bromomethyl)heptane3-bromomethylheptane

이름 더 보기

1-브로모-2-에틸헥산1-브로모-2-에틸헥세인2-에틸헥실브로마이드OCTYL BROMIDEBromoctaneBROMO ISOOCTANEISO-OCTYL BROMIDEEthylhexyl broMid1-BROMO ISO OCTANE

EINECS 242-659-92-Ethyl-bromohexane3-bromomethyl-heptane1-bromo-2 ethylhexane2-Ethylhexylhydrobromide3-(bromomethyl)-heptane1-bromo-2-ethyl hexane3-(bromo-methyl)-heptane

데이터베이스 식별자

CAS: 18908-66-2
PubChem CID: 86804
DTXSID: DTXSID80885074
UNII: N280JW4C4W
EC Number: 242-659-9
Nikkaji: J103.946F

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 0 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 0
회전 가능 결합 수: 5
무거운 원자 수: 9
형식 전하: 0
복잡도: 52.5

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated

SpringerMaterials PropertiesDielectric constant

Density1.086 @25 °C

Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]

물리화학적 성질

녹는점: -55 °C · -55°C (estimate)
끓는 점: 75 · 75-77 °C16 mm Hg(lit.)
밀도: 1.086 g/mL · 1.086 g/mL at 25 °C(lit.)
굴절률: 20 · n20/D 1.4538(lit.)
인화점: 157 °F · 157 °F
저장 조건: 2 · 2-8°C
용해도: 클로로포름, 에틸아세테이트에 용해됨
물리적 상태: 액체
Specific Gravity: 1.12 · 1.12
색상: 무색~황색으로 투명함
수용성: 불용성
BRN: 1098313 · 1098313
Dielectric constant: 5 · 5.0(Ambient)
InChI: 1S/C8H17Br/c1-3-5-6-8(4-2)7-9/h8H,3-7H2,1-2H3
InChIKey: NZWIYPLSXWYKLH-UHFFFAOYSA-N
SMILES: CCCCC(CC)CBr
NIST: 3 · Heptane, 3-(bromomethyl)-(18908-66-2)
EPA: 3 · Heptane, 3-(bromomethyl)- (18908-66-2)

화학적 성질

clear colorless to yellow liquid

안전 및 규제

GHS 분류

GHS Classification · 5건

This chemical does not meet GHS hazard criteria for 19% (37 of 195) of reports.

Warning

H302 (55.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 195 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory Information · 2건

Status: Active Update: 25-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19046

3-(Bromomethyl)heptane: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryStabilized with 1% potassium carbonate; A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 1-Bromohexane.

Hazard Classes and CategoriesAcute Tox. 4 (55.9%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

12 [mg/m3]

130 [mg/m3]

790 [mg/m3]

안전 데이터

wgk: 3
tsca: TSCA listed
HS 번호: 29033036
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36/37/39-37/39
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

General Manufacturing InformationHeptane, 3-(bromomethyl)-: ACTIVE

응용 분야

용도2-Ethylhexyl bromide has been used in the synthesis of:methoxy-4-(2-ethylhexyloxy)benzenephotovoltaic conjugated polymer, having benzo[1,2-b:4,5-b′]difuran building block1-bromo-4-(2′-ethylhexyloxy)benzene3