3-(Bromomethyl)oxetane-3-carboxylic acid
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Basic information
- CAS
1802048-89-0- Standard SMILES
O=C(O)C1(CBr)COC1- InChIKey
BPGGWEZKGGFKTB-UHFFFAOYSA-N- Molecular formula
- C5H7BrO3
- Average molar mass
- 195.01 g/mol
- Monoisotopic mass
- 193.95786
Names & identifiers
- Preferred name
- 3-(Bromomethyl)oxetane-3-carboxylic acid
- IUPAC
- 3-(bromomethyl)oxetane-3-carboxylic acid
- English name
- 3-(bromomethyl)oxetane-3-carboxylic acid
- Molecular formula
- C5H7BrO3
- Molecular weight
- 195.01
Names & synonyms
3-(Bromomethyl)oxetane-3-carboxylic acid1802048-89-0RefChem:494482824-431-6MFCD283903153-(bromomethyl)-3-oxetanecarboxylic acidSCHEMBL16937142CS-D1313AKOS0272562603-(Bromomethyl)oxetane-3-carboxylicacidAS-54803SY057505
Show more names
3-Oxetanecarboxylic acid, 3-(bromomethyl)-3-(bromomethyl)oxetane-3-carboxylic acid - [B83830]
W10206EN300-1664139CXC04889DB-164948F505297
Database identifiers
- CAS
1802048-89-0- PubChem CID
- 118257540
- EC Number
- 824-431-6
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 317.8 · 317.8±37.0 °C(Predicted)
- Density
- 1.823 · 1.823±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- pka
- 3.09 · 3.09±0.20(Predicted)
- Appearance
- White to yellow Solid
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302-H315-H318-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P310-P330-P332+P313-P362-P403+P233-P405-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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