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2-Brompentan

2-Bromopentane

HCID 7890
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Grundinformationen

CAS
107-81-3
Standard-SMILES
CCCC(C)Br
InChIKey
LGAJYTCRJPCZRJ-UHFFFAOYSA-N
Summenformel
C5H11Br
Durchschnittliche Molmasse
151,04 g/mol
Monoisotopische Masse
150,00441245

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
2-Bromopentane
IUPAC
2-bromopentane
Lokaler Name
2-Brompentan
Englischer Name
2-Bromopentane
Summenformel
C5H11Br
Molmasse
151.04

Namen und Synonyme

2-BROMOPENTANE107-81-3Pentane, 2-bromo-2-Pentyl bromideDTXSID908704562-amyl bromideRefChem:85891DTXCID10818178203-521-3(+/-)-2-BromopentaneNSC 78961-methylbutyl bromide
Weitere Namen anzeigen
2-bromo-pentan2-Pentylbromidpentane,2-bromo-sec-Pentylbromide2-Bromopentaneid2-BROMPENTAN 5 ML
130321-66-3sec-amyl bromideMFCD00000160NSC-7896BR1101EINECS 203-521-3UN2343BRN 1718829

Datenbank-Bezeichner

CAS
107-81-3
PubChem CID
7890
DTXSID
DTXSID90870456
UNII
E7B8GV5AA4
EC Number
203-521-3
Nikkaji
J53.726H

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
6
Formalladung
0
Komplexität
27,1

Experimentelle und physikochemische Eigenschaften

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 Einträge

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]

Physikochemische Eigenschaften

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 3 Einträge

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 · 2 Einträge

Special Hazards of Combustion Products: Toxic fumes of Br

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

Health Hazards · 2 Einträge

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]

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationPentane, 2-bromo-: ACTIVE

Anwendungen

VerwendenUsed as a chemical intermediate.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Pentane, 3,3-dibromo-methyl 1-methylbutyl etherp-Toluenesulfonic acid 1-methylbutyl esterMethylcyclobutane.Pent-2-en(S)-(+)-2-Pentanol3-Brompentan1,4-DibrompentanPentan-2-ol

Nachgelagerte Produkte

5-(sec-Pentyl)barbitursure5-Ethyl-5-(1-methylbutyl)-2-thiobarbitursure5-Methyloctan-2-on4-Methyltetradecanesec-Pentylbromomagnesium

Zugehörige Reaktionen

52
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 2359
HRID 2359als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 22422
HRID 22422als Eduktuspto-grants-1995_06
Reaktionsgleichung von HRID 40937
HRID 40937als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 44971
HRID 44971als Eduktuspto-grants-2013_09
Reaktionsgleichung von HRID 130520
HRID 130520als Eduktuspto-grants-2008_06
Reaktionsgleichung von HRID 159060
HRID 159060als EduktTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaktionsgleichung von HRID 275226
HRID 275226als Eduktuspto-grants-1995_02
Reaktionsgleichung von HRID 330313
HRID 330313als Eduktuspto-grants-1990_01
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Schmelzpunkt
-95.5 °C · -95.5 °C
Siedepunkt
116 · 116-117 °C(lit.)
Dichte
1.223 g/mL · 1.223 g/mL at 25 °C(lit.)
Brechungsindex
20 · n20/D 1.441(lit.)
Flammpunkt
69 °F · 69 °F
storage temp.
Flammables area
Löslichkeit
Chloroform, Ethyl Acetate (Slightly), Methanol (Slightly)
Aggregatzustand
Liquid
Farbe
Clear
Wasserlöslichkeit
practically insoluble
BRN
1718829 · 1718829
Stabilität
Stable. Highly flammable. Incompatible with strong bases, strong oxidizing agents.
InChI
1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKey
LGAJYTCRJPCZRJ-UHFFFAOYSA-N
SMILES
CCCC(C)Br
CAS Datenbank
107 · 107-81-3(CAS DataBase Reference)
NIST chemische Informationen
2 · Pentane, 2-bromo-(107-81-3)
EPA chemische Informationen
2 · Pentane, 2-bromo- (107-81-3)
DOT ID and Guide
2343 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 · 4 Einträge

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 · 2 Einträge

Flam. Liq. 2 (70.6%)

Flammable agents - 3rd degree

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 130 [Flammable Liquids (Water-Immiscible / Noxious)]:
Accidental Release Measures · 2 Einträge

· 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 · 2 Einträge

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 · 2 Einträge

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.

Toxikologische Informationen

Adverse EffectsNeurotoxin - Acute solvent syndrome
Toxicity DataLC50 (mice) = 33,000 mg/m3

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 2343
hs_code
29033990
RTECS-Nr.
RZ9800000
risk_code
11-36/37/38
hazard_code
F,Xi
safety_code
16-26-36/37/39
hazard_class
3
packing_group
II
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Aquatic Chronic 2Flam. Liq. 2Skin Irrit. 2