1-브로모헥산

1-Bromohexane

HCID 8101CAS 111-25-1

기본 정보

표준 SMILES
CCCCCCBr
InChIKey
MNDIARAMWBIKFW-UHFFFAOYSA-N
분자식
C6H13Br
평균 분자량
165.07 g/mol
단동위원소 질량
164.02006252

개요

1-Bromohexane is an organobromide compound. It is used to manufacture pharmaceuticals and organic chemicals. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625, L684)

이름 및 식별자

우선 이름
1-Bromohexane
IUPAC
1-bromohexane
현지명
1-브로모헥산
영어명
1-Bromohexane
분자식
C6H13Br
분자량
165.07

이름 및 동의어

1-BROMOHEXANE111-25-1Hexyl bromiden-Hexyl bromideBromohexane1-Hexyl bromideHexane, 1-bromo-DTXSID4021929WVA0FAX7GANSC-71206DTXCID101929RefChem:75167
이름 더 보기
1-브로모헥산1-브로모헥세인N-BROMOHEXANEHexylbromid1-Bromohexane 98% For Synthesis1-Bromhexan1-bromo-hexanJACS-111-25-1
203-850-2Pentane, bromomethyl-1-bromo-hexaneMFCD000002716-bromohexaneUNII-WVA0FAX7GAEINECS 203-850-2NSC 71206

데이터베이스 식별자

CAS
111-25-1
PubChem CID
8101
DTXSID
DTXSID4021929
ChEMBL
CHEMBL3187491
UNII
WVA0FAX7GA
EC Number
203-850-2
Nikkaji
J1.986K

물성

구조 계산 물성

XLogP
3.8
극성 표면적
0 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
0
회전 가능 결합 수
4
무거운 원자 수
7

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesBoiling point
LogP3.8
Density1.1744 @ 20°C
Boiling Point155.3 °C @760 [mm Hg]
Melting Point-84.7 °C

물리화학적 성질

녹는점
85 °C · −85 °C(lit.)
끓는 점
154 · 154-158 °C(lit.)
밀도
1.176 g/mL · 1.176 g/mL at 25 °C(lit.)
증기 밀도
5.7 · 5.7 (vs air)
증기압
10 mm · <10 mm Hg ( 20 °C)
굴절률
20 · n20/D 1.448(lit.)

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

GHS Classification · 4건

Warning

H226 (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.

유해성 정보

Regulatory Information · 4건

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/10829

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

Hazards SummaryA skin and mucous membrane irritant; [Alfa Aesar MSDS] See 1-Bromopropane and 2-Bromopentane.
Hazard Classes and CategoriesFlam. Liq. 3 (99.5%)

안전 및 보호

Protective Action Criteria (PAC) · 3건

120 [mg/m3]

1300 [mg/m3]

7600 [mg/m3]

독성 정보

Treatment · 1건

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.

Health Effects · 1건

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)

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)
Toxicity Summary · 1건

Bromine is a powerful oxidizing agent and is able to release oxygen free radicals from the water in mucous membranes. These free radicals are also potent oxidizers and produce tissue damage. In additon, the formation of hydrobromic and bromic acids will result in secondary irritation. The bromide ion is also known to affect the central nervous system, causing bromism. This is believed to be a result of bromide ions substituting for chloride ions in the in actions of neurotransmitters and transport systems, thus affecting numerous synaptic processes. (L626, L627, A543)

Signs and Symptoms · 1건

Bromine vapour causes irritation and direct damage to the mucous membranes. Symptoms include lacrimation, rhinorrhoea, eye irritation with mucous secretions from the oropharyngeal and upper airways, coughing, dyspnoea, choking, wheezing, epistaxis, and headache. The bromide ion is a central nervous system depressant producing ataxia, slurred speech, tremor, nausea, vomiting, lethargy, dizziness, visual disturbances, unsteadiness, headaches, impaired memory and concentration, disorientation and hallucinations. This is called bromism. (L626, L627)

안전 데이터

wgk
2
tsca
TSCA listed
rtecs
MO0925000
ridadr
UN 1993 3/PG 3
독성
LD50 orally in Rabbit: > 2000 mg/kg
HS 번호
29033036

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Bromine is mainly absorbed via inhalation, but may also enter the body through dermal contact. Bromine salts can be ingested. Due to its reactivity, bromine quickly forms bromide and may be deposited in the tissues, displacing other halogens. (L626)

용도 및 제조

UsesIt is used to manufacture pharmaceuticals and organic chemicals. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock.
U.S. Production2023: <50,000 lb
General Manufacturing InformationHexane, 1-bromo-: ACTIVE

응용 분야

용도1-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.

공급사50 곳

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