CAS 37900-81-5 3-Chloro-4-(trifluoromethyl)phenol (HCID 13609147)

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Basic information

CAS: 37900-81-5
Standard SMILES: Oc1ccc(C(F)(F)F)c(Cl)c1
InChIKey: KQFQPAJCFHNHKB-UHFFFAOYSA-N
Molecular formula: C7H4ClF3O
Average molar mass: 196.55 g/mol
Monoisotopic mass: 195.9902769

Names & identifiers

Preferred name: 3-Chloro-4-(trifluoromethyl)phenol
IUPAC: 3-chloro-4-(trifluoromethyl)phenol
English name: 3-Chloro-4-trifluoromethylphenol
Molecular formula: C7H4ClF3O
Molecular weight: 196.55

Names & synonyms

37900-81-53-CHLORO-4-(TRIFLUOROMETHYL)PHENOLRefChem:499937896-474-93-Chloro-4-trifluoromethylphenolMFCD11849933Phenol, 3-chloro-4-(trifluoromethyl)-2-Chloro-4-hydroxybenzotrifluorideSCHEMBL364003SCHEMBL3458061SCHEMBL27977531SCHEMBL30026190

Show more names

AKOS016005958CS-W021902DS-2531MB10150SY103333TS-02781DB-356963EN300-1928718

Database identifiers

CAS: 37900-81-5
PubChem CID: 13609147
EC Number: 896-474-9

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 20.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 159

Physicochemical properties

Boiling point: 230.2 · 230.2±35.0 °C(Predicted)
Density: 1.474 · 1.474±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 7.6 · 7.60±0.18(Predicted)
form: fused solid
color: White
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319
Precautionary statements: 260 · P260-P280-P301+P310
HS Code: 2908990000 · 2908990000

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

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]；H318 (100%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+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.