2-Bromo-2-methylpropanoic acid

HCID 74924
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Basic information

CAS
2052-01-9
Standard SMILES
CC(C)(Br)C(=O)O
InChIKey
XXSPGBOGLXKMDU-UHFFFAOYSA-N
Molecular formula
C4H7BrO2
Average molar mass
167 g/mol
Monoisotopic mass
165.96294156

Names & identifiers

Preferred name
2-Bromo-2-methylpropanoic acid
IUPAC
2-bromo-2-methylpropanoic acid
English name
2-Bromo-2-methylpropionic acid
Molecular formula
C4H7BrO2
Molecular weight
167

Names & synonyms

2-Bromo-2-methylpropanoic acid2-Bromo-2-methylpropionic acid2052-01-9Propanoic acid, 2-bromo-2-methyl-Isobromobutyric acidalpha-Bromoisobutyric acid.alpha.-Bromoisobutyric acidPropionic acid, 2-bromo-2-methyl-bromoisobutyric acidCCRIS 9046821P2R6B0AEINECS 218-139-2
Show more names
2-BROMOISOBUTYRIC ACIDA-BROMOISOBUTYRIC ACIDα-Bromoisobutyric acidα-Bromoisobutyric acid2-bromo-2-methyl-Propanoicacid2-broMo isobutyratepha-Bromoisobutyric acid
NSC 41213NSC-41213alpha-Bromo-alpha-methylpropionic acidDTXSID8062151.ALPHA.-BROMOISOBUTYRIC ACID [MI]BROMO-2-METHYLPROPIONIC ACID, 2-RefChem:466169DTXCID1036333

Database identifiers

CAS
2052-01-9
PubChem CID
74924
DTXSID
DTXSID8062151
UNII
821P2R6B0A
EC Number
218-139-2
Nikkaji
J1.795G

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7

Physicochemical properties

Melting point
44 · 44-47 °C(lit.)
Boiling point
198 · 198-200 °C(lit.)
Density
1.43 g/cm3 · 1.43 g/cm3
refractive index
1.457 · 1.4570 (estimate)
Flash point
230 °F · >230 °F
storage temp.
2 · under inert gas (nitrogen or Argon) at 2–8 °C

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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

Aggregated GHS information provided per 52 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1 (100%)

Safety data

F
13
PPE
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
wgk
3
tsca
TSCA listed
ridadr
UN 3261 8/PG 2
hs_code
29156000

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationPropanoic acid, 2-bromo-2-methyl-: ACTIVE
Applications · 3 items

Uses2-Bromoisobutyric acid is used in the synthesis of dextran macroinitiator for atom transfer radical polymerization (ATRP) by partial esterification of hydroxyl group of the polysaccharide. The multifunctional silica colloids were prepared by coating them with 2-bromo-2-methylpropionic acid stabilized quantum dots.

Uses2-Bromo-2-methylpropionic acid is used in the Herceptin functionalization of polyhedral oligomeric silsesquioxane-conjugated oligomers-silica /iron oxide nanoparticles for tumor cell sorting.

General DescriptionThe multifunctional silica colloids were prepared by coating them with 2-bromo-2-methylpropionic acid stabilized quantum dots.

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]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

36 records
New reaction record

Compound notes

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