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Basic information
- CAS
91983-31-2- Standard SMILES
COC(=O)c1cc(Br)cc([N+](=O)[O-])c1O- InChIKey
YGVJGAVKLPOPMS-UHFFFAOYSA-N- Molecular formula
- C8H6BrNO5
- Average molar mass
- 276.04 g/mol
- Monoisotopic mass
- 274.94293
Names & identifiers
- Preferred name
- Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
- IUPAC
- methyl 5-bromo-2-hydroxy-3-nitrobenzoate
- English name
- Methyl 5-bromo-2-hydroxy-3-nitrobenzenecarboxylate
- Molecular formula
- C8H6BrNO5
- Molecular weight
- 276.04
Names & synonyms
methyl 5-bromo-2-hydroxy-3-nitrobenzoate91983-31-2DTXSID30359558RefChem:356009DTXCID60310612640-870-4Methyl 5-bromo-2-hydroxy-3-nitrobenzenecarboxylateMFCD00458681Benzoic acid, 5-bromo-2-hydroxy-3-nitro-, methyl esterMethyl5-bromo-2-hydroxy-3-nitrobenzoateMethyl 5-bromo-2-hydroxy-3-nitro-benzoateSCHEMBL207052
Show more names
YGVJGAVKLPOPMS-UHFFFAOYSA-NALBB-019717STK366078AKOS000264988MD-0013SY083073CS-0150901ST51057528
Database identifiers
- CAS
91983-31-2- PubChem CID
- 970238
- DTXSID
DTXSID30359558- EC Number
- 640-870-4
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- color
- Pale yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- HazardClass
- IRRITANT
- HS Code
- 2918290090 · 2918290090
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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.
Safety data
- hs_code
- 2918290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers24 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海启智医药科技有限公司021-54849683 13601642561 · [email protected]
常州鑫研合医药科技有限公司0519-85252752 15366845260 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
徐州睿诚致合生物医药技术有限公司15195955353 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
衢州爱美康生物科技有限公司0570-3081766 18357083060 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
Related reactions
3 records
Compound notes
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