1-브로모헥산

1-브로모헥산 · 1-브로모헥세인 · N-HEXYL BROMIDE · Bromohexane · N-BROMOHEXANE · HEXYL BROMIDE · Hexylbromid · 1-Bromohexane 98% For Synthesis

https://huagongshe.com/ko/chemical/8101

식별자 및 물리적 특성

CAS No.	111-25-1
분자식	C6H13Br
평균 분자량	165.07 g/mol
단동위원소 질량	164.02006252 g/mol
SMILES	CCCCCCBr
InChIKey	MNDIARAMWBIKFW-UHFFFAOYSA-N
PubChem CID	8101
ChEMBL	CHEMBL3187491
EC No.	203-850-2
DTXSID	DTXSID4021929
현지명	1-브로모헥산

화학 및 물리적 성질

XLogP	3.8
극성 표면적	0
수소 결합 공여자 수	0
수소 결합 수용자 수	0
회전 가능 결합 수	4
무거운 원자 수	7
형식 전하	0
복잡도	27.4
물질 분류	Other Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials Properties	Boiling point
LogP(분배 계수)	3.8
밀도	1.1744 @ 20°C1.176 g/mL at 25 °C(lit.)
끓는 점	155.3 °C @760 [mm Hg]154-158 °C(lit.)
녹는점	-84.7 °C−85 °C(lit.)
증기압	3.9 [mmHg]<10 mm Hg ( 20 °C)
Physical Description	LiquidColorless liquid with a pleasant odor[Alfa Aesar MSDS]
증기 밀도	5.7 (vs air)
굴절률	n20/D 1.448(lit.)
인화점	135 °F
저장 조건	Store below +30°C.
용해도	<1g/L
물리적 상태	액체
색상	투명한
용해도	물과 섞이지 않습니다.
비열	Cp(liquid): 1.24 J/(g·K), at 25℃
BRN	1731290
헨리 상수	3.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
유전율	5.8(24℃)
안정성	안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다. 타기 쉬운.
InChI	1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey	MNDIARAMWBIKFW-UHFFFAOYSA-N
SMILES	CCCCCCBr
NIST	Hexane, 1-bromo-(111-25-1)
EPA	Hexane, 1-bromo- (111-25-1)

화학적 성질

1-Bromohexane is a colourless liquid organohalide. It is a solvent that is frequently used in grignard reactions. It is also used as Intermediate, for introduction of hexyl group.

안전 및 규제

GHS 분류	WarningH226 (99.5%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 202 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Hexane, 1-bromo-Hexane, 1-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Hexane, 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: 09-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/108291-Bromohexane: Does not have an individual approval but may be used under an appropriate group standard
유해성 요약	A skin and mucous membrane irritant[Alfa Aesar MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and Categories	Flam. Liq. 3 (99.5%)
Protective Action Criteria (PAC)	120 [mg/m3]1300 [mg/m3]7600 [mg/m3]
Treatment	EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
건강 영향	Bromine vapour causes irritation and direct damage to the mucous membranes. Elemental bromine also burns the skin. The bromide ion is a central nervous system depressant and chronic exposure produces neuronal effects. This is called bromism and can result in central reactions reaching from somnolence to coma, cachexia, exicosis, loss of reflexes or pathologic reflexes, clonic seizures, tremor, ataxia, loss of neural sensitivity, paresis, papillar edema of the eyes, abnormal speech, cerebral edema, delirium, aggressiveness, and psychoses. (L625, L626, L627)

용도

1-Bromohexane is utilized in the preparation of pharmaceuticals and organic chemicals. It is involved in Grignard reactions as an alkylating agent and in the synthesis of bromo-cyclic compounds.