Basic information
- CAS
79674-66-1- Standard SMILES
O=C(O)COc1ccc(Br)cn1- InChIKey
XJUFARLLBCMIAD-UHFFFAOYSA-N- Molecular formula
- C7H6BrNO3
- Average molar mass
- 232.03 g/mol
- Monoisotopic mass
- 230.95310515
Names & identifiers
- Preferred name
- 2-[(5-Bromopyridin-2-yl)oxy]acetic acid
- IUPAC
- 2-[(5-bromo-2-pyridinyl)oxy]acetic acid
- English name
- 2-(5-bromopyridin-2-yl)oxyacetic acid
- Molecular formula
- C7H6BrNO3
- Molecular weight
- 0
Names & synonyms
2-[(5-bromo-2-pyridinyl)oxy]Acetic acid2-[(5-bromopyridin-2-yl)oxy]acetic acid2-((5-bromopyridin-2-yl)oxy)acetic acid2-((5-Bromo-2-pyridinyl)oxy)acetic acidRefChem:449657867-787-879674-66-12-(5-bromopyridin-2-yl)oxyacetic acidNSC190660SCHEMBL3562724DTXSID30307296XJUFARLLBCMIAD-UHFFFAOYSA-N
Show more names
EDA67466MFCD00835587SBB0978462-(5-bromo-2-pyridyloxy)acetic acidAKOS022657978NSC 190660NSC-190660(5-bromo-pyridin-2-yloxy)-acetic acid
Database identifiers
- CAS
79674-66-1- PubChem CID
- 302912
- DTXSID
DTXSID30307296- EC Number
- 867-787-8
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H319-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H319-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
4 records
Compound notes
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