CAS 14719-83-6 Methyl 4-chloro-3-nitrobenzoate (HCID 735797)

Names & identifiers

Preferred name: Methyl 4-chloro-3-nitrobenzoate
IUPAC: methyl 4-chloro-3-nitrobenzoate
English name: Methyl 4-chloro-3-nitrobenzoate
Molecular formula: C8H6ClNO4
Molecular weight: 215.59

Names & synonyms

Methyl 4-chloro-3-nitrobenzoate14719-83-6XRTKWPWDSUNLHS-UHFFFAOYSA-DTXSID40352833RefChem:816342DTXCID10303897620-525-4InChI=1/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3Methyl 4-chloro-3-nitrobenzate4-Chloro-3-nitrobenzoic Acid Methyl EsterBenzoic acid, 4-chloro-3-nitro-, methyl esterMFCD00016989

Show more names

BUTTPARK 97\04-24RARECHEM AL BF 0170Methyl 4-chloro-3-niOTAVA-BB BB0128620049Nintedanib impurities7METHYL-3-NITRO-4-CHLOROBENZOATE

Methyl 3-nitro-4-chlorobenzoatemethyl 4-chloro-3-nitro-benzoateNintedanib Impurity 37Intedanib Impurity 2H6A9MD9VBKSCHEMBL51755Methyl4-chloro-3-nitrobenzateCHEMBL5564706

Database identifiers

CAS: 14719-83-6
PubChem CID: 735797
DTXSID: DTXSID40352833
ChEMBL: CHEMBL5564706
UNII: H6A9MD9VBK
EC Number: 620-525-4
Nikkaji: J47.497E

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 72.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 240

Physicochemical properties

Melting point: 80 °C · 80 °C
Boiling point: 313.2 · 313.2±22.0 °C(Predicted)
Density: 1.522 · 1.5220
refractive index: 1.6 · 1.6000 (estimate)
storage temp.: Sealed in dry,Room Temperature
form: powder to crystal
color: White to Light yellow to Green
Water Solubility: Soluble in water.
BRN: 1643729 · 1643729
InChI: InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3
InChIKey: XRTKWPWDSUNLHS-UHFFFAOYSA-N
SMILES: C(OC)(=O)C1=CC=C(Cl)C([N+]([O-])=O)=C1
CAS DataBase Reference: 14719 · 14719-83-6(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H315-H319
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-37/39-37
Hazard Note: Irritant
HS Code: 29163990 · 29163990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (85.1%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (17%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (14.9%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (85.1%)；Skin Irrit. 2 (17%)；Eye Irrit. 2A (17%)；STOT SE 3 (14.9%)

Safety data

hs_code: 29163990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-37/39-37
Hazard statements: H335-H315-H319
Precautionary statements: P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313