CAS 10169-50-3 5-Bromo-3-nitrosalicylic acid (HCID 3014622)

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Basic information

CAS: 10169-50-3
Standard SMILES: O=C(O)c1cc(Br)cc([N+](=O)[O-])c1O
InChIKey: JNYJGSJKQMVWRL-UHFFFAOYSA-N
Molecular formula: C7H4BrNO5
Average molar mass: 262.01 g/mol
Monoisotopic mass: 260.92728433

Names & identifiers

Preferred name: 5-Bromo-3-nitrosalicylic acid
IUPAC: 5-bromo-2-hydroxy-3-nitrobenzoic acid
English name: 5-Bromo-2-hydroxy-3-nitrobenzoic acid
Molecular formula: C7H4BrNO5
Molecular weight: 262.01

Names & synonyms

5-Bromo-2-hydroxy-3-nitrobenzoic acidBenzoic acid, 5-bromo-2-hydroxy-3-nitro-5-Bromo-3-nitrosalicylic acidSalicylic acid, 5-bromo-3-nitro-DTXSID0074425RefChem:301825DTXCID503265010169-50-3MFCD004638725-BROMO-2-HYDROXY-3-NITRO-BENZOIC ACIDSalicyl Yellow AC.I.10300

Show more names

5-Bromo-2-hdyroxy-3-nitro benzoicacid

Oprea1_050706SCHEMBL14468315-bromo-3-nitro-salicylic acidJNYJGSJKQMVWRL-UHFFFAOYSA-NBBL001115STK3660775-Bromo-2-hydroxy-3-nitrobenzoicacidAKOS005442410

Database identifiers

CAS: 10169-50-3
PubChem CID: 3014622
DTXSID: DTXSID0074425
Nikkaji: J70.156D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 103 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 253

Physicochemical properties

Boiling point: 346.6 · 346.6±42.0 °C(Predicted)
Density: 2.04 · 2.040±0.06 g/cm3(Predicted)
pka: 1.62 · 1.62±0.20(Predicted)
EPA Substance Registry System: 5 · 5-Bromo-3-nitrosalicylic acid (10169-50-3)
Symbol(GHS): 5 · GHS05,GHS07,GHS09
Signal word: Danger
Hazard statements: 302 · H302-H315-H317-H318-H410
Precautionary statements: 261 · P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501

Safety & regulation

Safety data

Signal word: Danger
Symbol(GHS): GHS05,GHS07,GHS09
Hazard statements: H302-H315-H317-H318-H410
Precautionary statements: P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352-P305+P351+P338+P310-P333+P313-P391-P501

Chemistry & industry

Suppliers19 total

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

上海仲因实业有限公司2537653158 16621191650 · [email protected]

上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]

Related reactions

1 records

New reaction record

HRID 604969As reactantuspto-grants-2011_03

Compound notes

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