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2-브로모펜탄

2-Bromopentane

HCID 7890
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
107-81-3
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 · 2건

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.)

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 4건

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 · 3건

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 · 2건

Special Hazards of Combustion Products: Toxic fumes of Br

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.

Health Hazards · 2건

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 Group

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

Pentane, 3,3-dibromo-메틸1-메틸부틸에테르p-톨루엔술폰산1-메틸부틸에스테르메틸사이클로부탄.트랜스-2-펜텐펜탄올(s-+)3-브로모펜탄1,4-Dibromopentane2-펜타놀

하류 제품

5-(초-펜틸)바르비투르산5- 에틸 -5- (1- 메틸 부틸) -2- 대한 TBA

관련 반응

52건
반응 기록 만들기
HRID 2359 반응식
HRID 2359반응물로uspto-grants-1998_03
HRID 22422 반응식
HRID 22422반응물로uspto-grants-1995_06
HRID 40937 반응식
HRID 40937반응물로uspto-grants-2013_09
HRID 44971 반응식
HRID 44971반응물로uspto-grants-2013_09
HRID 130520 반응식
HRID 130520반응물로uspto-grants-2008_06
HRID 159060 반응식
HRID 159060반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 275226 반응식
HRID 275226반응물로uspto-grants-1995_02
HRID 330313 반응식
HRID 330313반응물로uspto-grants-1990_01
1 / 7 페이지

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기
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 · 1건

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.

Halogenated 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 · 4건

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 · 2건

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 · 2건

· 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 · 2건

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 · 2건

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
5-메틸-2-옥타논
4-메틸테트라데칸
sec-펜틸브로모마그네슘