2-Chloro-4-fluoro-5-nitrotoluene

C₇H₅ClFNO₂CAS 112108-73-3189.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₅ClFNO₂
Molar mass: 189.57 g/mol
Exact mass: 188.9993 Da
logP: 2.70Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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, P501

Identifiers

CAS number

112108-73-3

SMILES

CC1=CC(=C(C=C1Cl)F)[N+](=O)[O-]

InChIKey

YXVJHZWHPLOEAP-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClFNO2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

1-Chloro-5-fluoro-2-methyl-4-nitro-benzene

Work with 2-Chloro-4-fluoro-5-nitrotoluene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-873 % similar 1,4-Difluoro-2-methyl-5-nitrobenzene141412-60-466 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-166 % similar 1-Fluoro-5-methyl-2,4-dinitrobenzene349-01-966 % similar 1-Bromo-5-fluoro-2-methyl-4-nitrobenzene64695-96-163 % similar 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-663 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-163 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-fluoro-4-methyl-5-nitrobenzene118664-99-6 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-6 Methyl2-chloro-5-fluoronicotinate847729-27-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook