2-(Bromomethyl)-3-nitrobenzoic acid methyl ester
Properties
- Molecular formula
- C9H8BrNO4
- Molar mass
- 274.07 g/mol
- Exact mass
- 272.9637 Da
- Melting point
- 67–70 °C
- logP
- 2.28Crippen estimate
- Polar surface area
- 69.4 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Danger
- H290 May be corrosive to metals25% of notifiers
- H314 Causes severe skin burns and eye damage75% of notifiers
- H315 Causes skin irritation25% of notifiers
- H318 Causes serious eye damage25% of notifiers
- H319 Causes serious eye irritation25% of notifiers
- H335 May cause respiratory irritation50% of notifiers
- H340 May cause genetic defects25% of notifiers
- H350 May cause cancer25% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure25% of notifiers
Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P234, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
98475-07-1SMILES
COC(=O)c1cccc([N+](=O)[O-])c1CBrInChIKey
FCGIVHSBEKGQMZ-UHFFFAOYSA-NInChI
InChI=1S/C9H8BrNO4/c1-15-9(12)6-3-2-4-8(11(13)14)7(6)5-10/h2-4H,5H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Benzoic acid, 2-(bromomethyl)-3-nitro-, methyl ester
- Methyl 2-(bromomethyl)-3-nitrobenzoate
Work with 2-(Bromomethyl)-3-nitrobenzoic acid methyl ester
Similar compounds
Methyl 2-nitrobenzoate606-27-967 % similar
Dimethyl 3-nitrophthalate13365-26-966 % similar
Methyl 3-nitroanthranilate57113-91-464 % similar
Methyl 2-methyl-3-nitrobenzoate59382-59-164 % similar
Methyl 3-nitrosalicylate22621-41-663 % similar
2-Fluoro-3-nitrobenzoic acid methyl ester946126-94-963 % similar
Methyl 3-bromo-2-(bromomethyl)benzoate337536-14-861 % similar
2-(Methoxycarbonyl)-6-nitrobenzoic acid21606-04-259 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.