2-Brompropionsure

2-Bromopropionic acid

HCID 11729CAS 598-72-1
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

Standard-SMILES
CC(Br)C(=O)O
InChIKey
MONMFXREYOKQTI-UHFFFAOYSA-N
Summenformel
C3H5BrO2
Durchschnittliche Molmasse
152,97 g/mol
Monoisotopische Masse
151,9472915

Überblick

RN given refers to cpd without isomeric designation

Namen und Bezeichner

Bevorzugter Name
2-Bromopropionic acid
IUPAC
2-bromopropanoic acid
Lokaler Name
2-Brompropionsure
Englischer Name
2-Bromopropionic acid
Summenformel
C3H5BrO2
Molmasse
152.97

Namen und Synonyme

2-BROMOPROPIONIC ACID2-Bromopropanoic acid598-72-1Propanoic acid, 2-bromo-alpha-Bromopropionic acidDTXSID9027233UE0XVY2DT6NSC-172J631IDTXCID207233RefChem:85900209-947-6
Weitere Namen anzeigen
(S)-2-BROMOPROPANOIC ACID2-BROMOPROPANAMIDEA-BROMOPROPIONIC ACID2-broMide3-(3-(4'2-Bromopropion-Bromo-[1,1'DL-2-BromopropionicRARECHEM AL BO 1266
Propionic acid, 2-bromo-.alpha.-Bromopropionic acid(+/-)-2-Bromopropionic acid(+/-)-2-Bromopropanoic acid2-bromo-propionic acidBR1120S-2-Bromopropionic acidDL-2-Bromopropionic acid

Datenbank-Bezeichner

CAS
598-72-1
PubChem CID
11729
DTXSID
DTXSID9027233
ChEMBL
CHEMBL3182324
UNII
UE0XVY2DT6
EC Number
209-947-6
Nikkaji
J480D、J631I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,9
Polarare Oberfläche (TPSA)
37,3 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
2
Frei drehbare Bindungen
1
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Organic Acids
Vapor Pressure0.29 [mmHg]
Physical Description · 2 Einträge

Liquid

Colorless melt; mp = 25 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
25.7 °C · 25.7°C
Siedepunkt
203 °C · 203 °C (lit.)
Dichte
1.7 g/mL · 1.7 g/mL at 25 °C (lit.)
Brechungsindex
20 · n20/D 1.475(lit.)
Flammpunkt
212 °F · 212 °F
storage temp.
room temp

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H301 (69.9%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P264, P264+P265, P270, P280, P301+P316, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 163 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Propanoic acid, 2-bromo-

Propanoic acid, 2-bromo- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoic acid, 2-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: 10-08-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10591

2-Bromopropionic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards Summary · 1 Eintrag

Causes other degenerative changes in brain, ataxia, changes in sodium, and muscle weakness in 2- and 3-day intermittent oral studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Harmful by ingestion; [Alfa Aesar MSDS] See 3-Bromopropionic acid.

Hazard Classes and CategoriesAcute Tox. 3 (69.9%)

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN 3265 8/PG 2
hs_code
29159080
RTECS-Nr.
UA2451715
risk_code
22-34-40-36/37/38-38-11

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2023: <50,000 lb
Industry UsesChemical reaction regulator
General Manufacturing Information · 2 Einträge

All Other Chemical Product and Preparation Manufacturing

Propanoic acid, 2-bromo-: ACTIVE

Anwendungen

VerwendenIt is employed as pharmaceutical and agrochemical intermediate. It is used as an alkylation agent for mercaptans and other sulfur containing compounds.

Darstellung · 1 Eintrag

synthetische2-Bromopropionic acid is obtained by bromination of propionic acid. Add propionic acid and phosphorus trichloride to the reaction kettle, keep the temperature at 80°C, slowly add bromine to the reaction solution dropwise, and heat up to 85°C after the addition of bromine, and raise the temperature to 100°C when the color of bromine disappears completely, it takes about 2~3h, and then the bromine and hydrobromic acid are recovered under reduced pressure, and then the finished product is obtained by distillation under reduced pressure.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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