기본 정보
- 표준 SMILES
CCCC(C)Br- InChIKey
LGAJYTCRJPCZRJ-UHFFFAOYSA-N- 분자식
- C5H11Br
- 평균 분자량
- 151.04 g/mol
- 단동위원소 질량
- 150.00441245
개요
2-bromopentane appears as a colorless to yellow-colored liquid with a strong odor. Flash point 90 °F. Slightly denser than water and insoluble in water. Vapors heavier than air. May irritate skin and eyes. In high concentrations the vapors may be narcotic.
이름 및 식별자
- 우선 이름
- 2-Bromopentane
- IUPAC
- 2-bromopentane
- 현지명
- 2-브로모펜탄
- 영어명
- 2-Bromopentane
- 분자식
- C5H11Br
- 분자량
- 151.04
이름 및 동의어
2-BROMOPENTANE107-81-3Pentane, 2-bromo-2-Pentyl bromideDTXSID908704562-amyl bromideRefChem:85891DTXCID10818178203-521-3(+/-)-2-BromopentaneNSC 78961-methylbutyl bromide
이름 더 보기
2-브로모펜탄2-브로모펜테인2-bromo-pentan2-Pentylbromidpentane,2-bromo-sec-Pentylbromide2-Bromopentaneid2-BROMPENTAN 5 ML
130321-66-3sec-amyl bromideMFCD00000160NSC-7896BR1101EINECS 203-521-3UN2343BRN 1718829
데이터베이스 식별자
- CAS
107-81-3- PubChem CID
- 7890
- DTXSID
DTXSID90870456- UNII
- E7B8GV5AA4
- EC Number
- 203-521-3
- Nikkaji
- J53.726H
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 0 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 27.1
실험 및 물리화학적 성질
Chemical ClassesFlammable agents - 3rd degree
SolventsSolvents -> Brominated Solvents
Density1.208 at 68 °F (USCG, 1999) - Denser than water; will sink
Flash Point69 °F (USCG, 1999)
Boiling Point243 °F at 760 mmHg (USCG, 1999)
Melting Point-140 °F (USCG, 1999)
Vapor Pressure21.3 [mmHg]
Physical Description
2-bromopentane appears as a colorless to yellow-colored liquid with a strong odor. Flash point 90 °F. Slightly denser than water and insoluble in water. Vapors heavier than air. May irritate skin and eyes. In high concentrations the vapors may be narcotic.
Colorless to yellow liquid; [CAMEO] Colorless liquid; [MSDSonline]
물리화학적 성질
- 녹는점
- -95.5 °C · -95.5 °C
- 끓는 점
- 116 · 116-117 °C(lit.)
- 밀도
- 1.223 g/mL · 1.223 g/mL at 25 °C(lit.)
- 굴절률
- 20 · n20/D 1.441(lit.)
- 인화점
- 69 °F · 69 °F
- 저장 조건
- Flammables area
- 용해도
- 클로로포름, 아세트산에틸(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 액체
- 색상
- 투명한
- 수용성
- 실질적으로 불용성
- BRN
- 1718829 · 1718829
- 안정성
- 안정적인. 가연성이 높습니다. 강염기, 강산화제와 호환되지 않습니다.
- InChI
- 1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
- InChIKey
- LGAJYTCRJPCZRJ-UHFFFAOYSA-N
- SMILES
- CCCC(C)Br
- NIST
- 2 · Pentane, 2-bromo-(107-81-3)
- EPA
- 2 · Pentane, 2-bromo- (107-81-3)
화학적 성질
2-bromopentane is a colorless to yellow-colored liquid with a strong odor. It is an optically active compound because it contains an asymmetric carbon (chiral carbon). An asymmetric carbon is carbon atom that is attached to four different types of atoms or groups of atoms. In 2-Bromopentance, the central carbon atom is attached to four different types of atoms (CH2, CH3, Br, H), hence it is an optically active compound.
안전 및 규제
GHS 분류
GHS Classification
Danger
H225 (70.6%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 68 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Chemical: Pentane, 2-bromo-
Status: Active Update: 13-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23970
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
DOT LabelFlammable Liquid
Fire Hazards
Special Hazards of Combustion Products: Toxic fumes of Br
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Irritating to eyes, nose, throat, and upper respiratory tract. Causes skin irritation. (USCG, 1999)
· May cause toxic effects if inhaled or absorbed through skin.
Hazards SummaryHighly flammable; A skin, eye, nose, throat, and upper respiratory tract irritant; Inhalation of high concentrations may cause CNS depression; [CAMEO] Highly flammable; An irritant; [MSDSonline]
DOT ID and Guide2343 130
Reactive GroupHalogenated Organic Compounds
Reactivity AlertsHighly Flammable
Reactivity Profile2-BROMOPENTANE is incompatible with strong oxidizing and reducing agents. Also incompatible with many amines, nitrides, azo/diazo compounds, alkali metals, and epoxides.
DOT Hazard Classification
2-Bromopentane
UN2343
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
Air and Water ReactionsHighly flammable. Insoluble in water.
Hazard Classes and Categories
Flam. Liq. 2 (70.6%)
Flammable agents - 3rd degree
안전 및 보호
Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Call a physician.
General First Aid:
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Isolation and Evacuation
Excerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Immediate precautionary measure
Personal Protective Equipment (PPE)Approved respirator, safety goggles, chemical-resistant gloves, other protective clothing. (USCG, 1999)
Emergency Response Planning GuidelinesCAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient.
독성 정보
Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mice) = 33,000 mg/m3
안전 데이터
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- RZ9800000
- ridadr
- UN 2343
- HS 번호
- 29033990
- risk_code
- 11-36/37/38
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- 포장분류
- II
- 위험 등급
- 3
- Hazard Classifications
- Aquatic Chronic 2Flam. Liq. 2Skin Irrit. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
용도 및 제조
General Manufacturing InformationPentane, 2-bromo-: ACTIVE
응용 분야
용도Used as a chemical intermediate.
일반 설명A colorless to yellow-colored liquid with a strong odor. Flash point 90°F. Slightly denser than water and insoluble in water. Vapors heavier than air. May irritate skin and eyes. In high concentrations the vapors may be narcotic.
상·하류 제품 정보
상류 원료
하류 제품
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