1,3-Dibrompropan

1,3-Dibromopropane

HCID 8001CAS 109-64-8

Grundinformationen

Standard-SMILES
BrCCCBr
InChIKey
VEFLKXRACNJHOV-UHFFFAOYSA-N
Summenformel
C3H6Br2
Durchschnittliche Molmasse
201,89 g/mol
Monoisotopische Masse
199,88362439

Überblick

1,3-Dibromopropane is an organobromide compound. 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)

Namen und Bezeichner

Bevorzugter Name
1,3-Dibromopropane
IUPAC
1,3-dibromopropane
Lokaler Name
1,3-Dibrompropan
Englischer Name
1,3-Dibromopropane
Summenformel
C3H6Br2
Molmasse
201.89

Namen und Synonyme

1,3-DIBROMOPROPANE109-64-8Trimethylene bromideTrimethylene dibromidePropane, 1,3-dibromo-alpha,gamma-DibromopropaneDTXSID1021902YQR3048IX9NSC-62663DTXCID701902RefChem:72605203-690-3
Weitere Namen anzeigen
1,3-Dibrompropan1,3-dibromo-propan,’-DibromopropaneDibromo-1,3 propane1,3-Propylenebromide1,3-propanedibromideNSC 62663TX85750000
1,3-dibromo-propaneC3H6Br2.alpha.,.gamma.-DibromopropaneMFCD000002551,3-Dibromopropane-2-13C.omega.,.omega.'-DibromopropaneCCRIS 67111,3-dibromo propane

Datenbank-Bezeichner

CAS
109-64-8
PubChem CID
8001
DTXSID
DTXSID1021902
UNII
YQR3048IX9
EC Number
203-690-3
Nikkaji
J2.433C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
2
Schwere Atome
5

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
SpringerMaterials PropertiesSchoenflies notation
LogP · 2 Einträge

log Kow = 2.37

2.37

OdorSweet odor
Density · 2 Einträge

1.9712 g/cu cm at 15 °C

1.977 @25 °C

Color/FormColorless liquid

Physikochemische Eigenschaften

Schmelzpunkt
-34 °C · -34 °C (lit.)
Siedepunkt
167 °C · 167 °C (lit.)
Dichte
1.989 g/mL · 1.989 g/mL at 25 °C (lit.)
Dampfdichte
7 · 7 (vs air)
Dampfdruck
2.6 hPa · 2.6 hPa (20 °C)
Brechungsindex
20 · n20/D 1.524(lit.)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 23.7% (52 of 219) of reports.

Warning

H226 (75.3%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 219 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: Propane, 1,3-dibromo-

Status: Active Update: 09-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/19530

1,3-Dibromopropane: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationEvaluation - 1-bromo-3-chloropropane and 1,3-dibromopropane
Hazards Summary · 1 Eintrag

Feeding study with young and newborn rats showed liver toxicity (hypertrophy of hepatocytes and change in biochemical parameters) and reduction of body weights; Emergency medical treatment: 1-Bromopropane. [HSDB] A mutagen; Effects in high-dose animal studies include convulsions; [RTECS]

Hazard Classes and Categories · 3 Einträge

Flam. Liq. 3 (75.3%)

Flammable liquids - Category 3

Hazardous to the aquatic environment (Acute) - Category 2

Sicherheit und Schutzausrüstung

Fire Fighting Procedures · 1 Eintrag

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources. /Bromopropanes/

Preventive Measures · 2 Einträge

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Use alcohol foam, dry chemical or carbon dioxide. Keep run-off water out of sewers and water sources. /Bromopropanes/

Personnel protection: Avoid breathing vapors. Keep upwind. Do not handle broken packages unless wearing appropriate personal protective equipment. If contact with the material anticipated, wear appropriate chemical protective clothing. /Bromopropanes/

Protective Action Criteria (PAC) · 3 Einträge

1.6 [mg/m3]

17 [mg/m3]

100 [mg/m3]

Personal Protective Equipment (PPE)Personnel Protection: ... Wear appropriate chemical protective gloves, boots and goggles. /Bromopropanes/

Toxikologische Informationen

Treatment · 1 Eintrag

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 · 1 Eintrag

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)

Ecotoxicity Values · 2 Einträge

LC50 Pimephales promelas (Fathead minnow) 5.3 mg/L/24 hr /Conditions of bioassay not specified in source examined/

LC50 Pimephales promelas (Fathead minnow) 1.79 mg/L/96 hr /Conditions of bioassay not specified in source examined/

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 460(SRC), determined from a measured log Kow of 2.37(2) and a regression derived equation(3), indicates that 1,3-dibromopropane is expected to have moderate mobility in soil(SRC). Volatilization of 1,3-dibromopropane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 8.88X10-4 atm-cu m/mole(4). The potential for volatilization of 1,3-dibromopropane from dry soil surfaces exists(SRC) based upon its vapor pressure of 1.36 mm Hg(4). Biodegradation data were not available(SRC, 2005).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 460(SRC), determined from a measured log Kow of 2.37(2) and a regression derived equation(3), indicates that 1,3-dibromopropane is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 8.88X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 6 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 13(SRC), from log Kow(2) and a regression-derived equation(6), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The hydrolysis half-life of 1,3-dibromopropane is about 48 days at pH 7 and 25 °C(7). Biodegradation data were not available(SRC, 2005).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,3-dibromopropane, which has a vapor pressure of 1.36 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,3-dibromopropane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 19 days(SRC), calculated from its rate constant of 8.4X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3).

Adverse EffectsNeurotoxin - Acute solvent syndrome
Exposure RoutesOral (L626) ; inhalation (L626) ; dermal (L626)

Sicherheitsdaten

wgk
2
tsca
TSCA listed
ridadr
UN 1993 3/PG 3
hs_code
29033036
RTECS-Nr.
TX8575000
risk_code
10-22-38-51/53-36/37/38

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 2 Einträge

The metabolism of 1,3-dibromopropane had been investigated in the rat. Two conjugated metabolites have been isolated from the urine and identified as S-(3-hydroxypropyl)cysteine and N-acetyl-S-(3-hydroxypropyl)cysteine. An oxidation product, identified as beta-bromolactic acid, has been isolated as a urinary metabolite. 1,3-dibromopropane is not excreted unchanged in expired air or in the urine. Approx. 15% of the dose (100 mg/kg) is excreted as metabolic products over 50 h and 3.5% as CO2 within 6 h, indicating that oxidation is the main route of detoxication.

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)

Verwendung und Herstellung

Uses · 4 Einträge

Used as an intermediate to make dyestuff, drugs, and cyclopropane; Also used as a herbicide; [HSDB]

Farming (Pesticides) [Category: Industry]

Intermediate for dyestuff and pharmaceutical industries, cyclopropane manufacture.

Used as a herbicide /SRP65: Former use/

Methods of Manufacturing · 2 Einträge

Prepared by the action of hydrobromic acid on trimethylene glycil in the presence of sulfuric acid

From trimethylene glycol and PBr3

Formulations/PreparationsGrade: Technical, CP
General Manufacturing InformationPropane, 1,3-dibromo-: ACTIVE
Anwendungen · 1 Eintrag

Verwenden1,3-Dibromopropane is used to prepare C3-bridged compounds through C-N coupling reactions. It is used in the preparation of 2,3,4,5-tetrahydro-7,7-diphenylimidazo- [2,1-b]-thiazine-6(7H)-one by reacting with potassium salt of 5,5-diphenyl-2-thiohydantoin.

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