CAS 78955-90-5 Methyl 4-chloro-2-methoxybenzoate (HCID 327084)

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Basic information

CAS: 78955-90-5
Standard SMILES: COC(=O)c1ccc(Cl)cc1OC
InChIKey: UTEXPQWKBMXWJD-UHFFFAOYSA-N
Molecular formula: C9H9ClO3
Average molar mass: 200.62 g/mol
Monoisotopic mass: 200.0240218

Names & identifiers

Preferred name: Methyl 4-chloro-2-methoxybenzoate
IUPAC: methyl 4-chloro-2-methoxybenzoate
English name: Methyl 4-chloro-2-methoxybenzoate
Molecular formula: C9H9ClO3
Molecular weight: 200.62

Names & synonyms

methyl 4-chloro-2-methoxybenzoateDTXSID00316178RefChem:816323DTXCID30267301813-126-378955-90-5MFCD09800922METHYL4-CHLORO-2-METHOXYBENZOATENSC300574Benzoic acid, 4-chloro-2-methoxy-, methyl esterSCHEMBL1484183UTEXPQWKBMXWJD-UHFFFAOYSA-N

Show more names

Methyl 2-methoxy-4-chlorobenzoate4-chloro-2-Methoxy-benzoicacidMethylester

methyl 4-chloro-2-methoxy-benzoateAKOS005147189NSC-300574AC-24331BS-25944SY396800DB-119438CS-0127627

Database identifiers

CAS: 78955-90-5
PubChem CID: 327084
DTXSID: DTXSID00316178
EC Number: 813-126-3
Nikkaji: J3.265.135F

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 13
Formal charge: 0
Complexity: 184

Physicochemical properties

Melting point: 36 °C · 36 °C
Boiling point: 271.4 · 271.4±20.0 °C(Predicted)
Density: 1.228 · 1.228±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
form: liquid
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501
Hazard Codes: Xi
HS Code: 2916399090 · 2916399090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Acute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2916399090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
Hazard statements: H302+H312+H332-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P363-P403+P233-P405-P501