Methyl 2-bromopropionate

HCID 95576
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Basic information

CAS
5445-17-0
Standard SMILES
COC(=O)C(C)Br
InChIKey
ACEONLNNWKIPTM-UHFFFAOYSA-N
Molecular formula
C4H7BrO2
Average molar mass
167 g/mol
Monoisotopic mass
165.96294156

Names & identifiers

Preferred name
Methyl 2-bromopropionate
IUPAC
methyl 2-bromopropanoate
English name
Methyl 2-bromopropionate
Molecular formula
C4H7BrO2
Molecular weight
167

Names & synonyms

Methyl 2-bromopropionate5445-17-0Methyl 2-bromopropanoatePropanoic acid, 2-bromo-, methyl esterMethyl dl-2-bromopropionate2-Bromopropionic acid methyl esterMethyl alpha-bromopropionateMethyl .alpha.-bromopropionatemethyl 2-bromo-propionatePropionic acid, 2-bromo-, methyl esterMETHYL-2-BROMOPROPIONATENSC-21973
Show more names
methyl 2-bromoacrylate2-BROMOPROPIONATE2-Bromopropi2-MethylbroMide2-BromopropionicDL-a-bromopropionateMethyl 2-broMopropion
methyl2-bromopropionateEINECS 226-642-3MFCD00000143NSC 21973methyl bromopropanoatemethyl bromopropionatemethyl2-bromopropanoatemethyl 2-brompropanoate

Database identifiers

CAS
5445-17-0
PubChem CID
95576
DTXSID
DTXSID90884159
UNII
T9W59FP8ZN
EC Number
226-642-3
Nikkaji
J125.368I

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
7

Experimental & physicochemical properties

Chemical ClassesOther Classes -> Halogenated Esters
Physical DescriptionClear light yellow liquid; [Sigma-Aldrich MSDS]

Physicochemical properties

Melting point
177 · 177-180 °C(Solv: water (7732-18-5))
Boiling point
51 °C/19 · 51 °C/19 mmHg (lit.)
Density
1.497 g/mL · 1.497 g/mL at 25 °C (lit.)
refractive index
20 · n20/D 1.451(lit.)
Flash point
125 °F · 125 °F
storage temp.
2 · Inert atmosphere,2-8°C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 49 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Chemical: Propanoic acid, 2-bromo-, methyl ester

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

Hazards SummaryCauses burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Methyl bromoacetate.
Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Toxicology

Adverse EffectsDermatotoxin - Skin burns.

Safety data

PPE
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk
3
tsca
TSCA listed
ridadr
UN 2920 8/PG 2
hs_code
29159080
risk_code
10-34-36/37-36/37/38

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 2-bromo-, methyl ester: ACTIVE
Applications · 1 item

UsesMethyl 2-bromopropionate was used as initiator during the synthesis of polymer brushes with single-walled carbon nanotubes as backbones. It was used as starting reagent for the synthesis of 2-18F-fluoropropionic acid, positron emission tomography imaging agent for prostate cancer.

Upstream & downstream products

Suppliers100 total

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]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

Related reactions

314 records
New reaction record

Compound notes

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