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
이름 더 보기
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
- 형식 전하
- 0
- 복잡도
- 27.4
실험 및 물리화학적 성질
Physical Description
Liquid
Colorless liquid with a pleasant odor; [Alfa Aesar MSDS]
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.)
- 인화점
- 135 °F · 135 °F
- 저장 조건
- 30 °C · Store below +30°C.
- 용해도
- 1 g/L · <1g/L
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 물과 섞이지 않습니다.
- 비열
- 1.24 J/ · Cp(liquid): 1.24 J/(g·K), at 25℃
- BRN
- 1731290 · 1731290
- Henry's Law Constant
- 3 · 3.0×10-4 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- Dielectric constant
- 5.8 · 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
- 1 · Hexane, 1-bromo-(111-25-1)
- EPA
- 1 · 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
GHS Classification
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
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
안전 및 보호
Protective Action Criteria (PAC)
120 [mg/m3]
1300 [mg/m3]
7600 [mg/m3]
독성 정보
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.
Health Effects
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)
Toxicity Summary
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
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
- risk_code
- 36/37/38-10
- hazard_code
- Xi
- safety_code
- 26-36-16
- 포장분류
- III
- 위험 등급
- 3
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
약리 정보
Metabolism/Metabolites
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
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.
상·하류 제품 정보
상류 원료
하류 제품
공급사50 곳
관련 반응
연결된 노트
불러오는 중…