1-브로모데칸

1-브로모데칸 · DECYL BROMIDE · N-DECYL BROMIDE · 1-Bromdecan · BROMO DECANE · 1-BROMODECANE · I–Bromodecane · 1-bromo-decan

식별자 및 물리적 특성

CAS No.	112-29-8
분자식	C10H21Br
평균 분자량	221.18 g/mol
단동위원소 질량	220.08266277 g/mol
SMILES	CCCCCCCCCCBr
InChIKey	MYMSJFSOOQERIO-UHFFFAOYSA-N
PubChem CID	8173
ChEMBL	CHEMBL3559832
EC No.	203-955-3
DTXSID	DTXSID9051581
현지명	1-브로모데칸

화학 및 물리적 성질

XLogP	6
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	8
무거운 원자 수	11
형식 전하	0
복잡도	61.9
물질 분류	Other Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	6.0
밀도	1.0702 @ 20°C1.066 g/mL at 25 °C(lit.)
끓는 점	240.6 °C @760 [mm Hg]238 °C(lit.)
녹는점	-29.2 °C-29.6 °C
증기압	0.04 [mmHg]
Physical Description	LiquidClear, light yellow liquid[Aldrich MSDS]
굴절률	n20/D 1.456(lit.)
인화점	202 °F
저장 조건	Store below +30°C.
용해도	에 용해됨클로로포름, 아세트산에틸 (약간 용해됨)
물리적 상태	액체
색상	무색투명~미황색
용해도	약간 용해됨
BRN	1735227
헨리 상수	1.7×10-4 mol/(m3Pa) at 25℃, Ebert et al. (2023)
유전율	4.4(24℃)
안정성	안정적인. 타기 쉬운. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI	1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChIKey	MYMSJFSOOQERIO-UHFFFAOYSA-N
SMILES	CCCCCCCCCCBr
NIST	Decane, 1-bromo-(112-29-8)
EPA	Decane, 1-bromo- (112-29-8)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류	WarningH315 (15.1%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P264+P265, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 53 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Decane, 1-bromo-Decane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Decane, 1-bromo- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 17-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/5308Decane, 1-bromo-: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	May cause irritation[Aldrich MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and Categories	Skin Irrit. 2 (15.1%)
Protective Action Criteria (PAC)	13 [mg/m3]150 [mg/m3]880 [mg/m3]
유해 작용	Neurotoxin - Acute solvent syndrome
Toxicity Data	LC50 (mouse) = 4,200 mg/m3/2hr
수질 위해 등급(WGK)	3
TSCA 등재 상태	TSCA listed
RTECS 번호	HD6850000
운송 번호(UN)	2810
독성	LD50 orally in Rabbit: > 2000 mg/kg
관세 코드	29033036
위험 문구(R)	36/37/38
안전 문구(S)	23-24/25

용도

1-Bromodecane is used to produce decanal. It is also used in organic synthesis.

일반 설명

1-Bromodecane participates in alkylation of pentaerythritol and introduces two lipophilic groups in pentaerythritol. It reacts with 1,2-dimethylimidazole to yield 1-decyl-2,3-dimethylimidazolium bromide.