(3,5-Difluorophenyl)thiourea

HCID 2783293

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Basic information

CAS: 791594-33-7
Standard SMILES: NC(=S)Nc1cc(F)cc(F)c1
InChIKey: HDQWFHUGMKRYIN-UHFFFAOYSA-N
Molecular formula: C7H6F2N2S
Average molar mass: 188.2 g/mol

Names & identifiers

Preferred name: (3,5-Difluorophenyl)thiourea
IUPAC: (3,5-difluorophenyl)thiourea
English name: 3,5-Difluorophenylthiourea
Molecular formula: C7H6F2N2S
Molecular weight: 188.2

Names & synonyms

791594-33-7(3,5-difluorophenyl)thiourea3,5-difluorophenylthiourea1-(3,5-Difluorophenyl)-2-thiourea1-(3,5-Difluorophenyl)thioureaMFCD07368707N-(3,5-difluorophenyl)thioureaSCHEMBL1748177HDQWFHUGMKRYIN-UHFFFAOYSA-NN-(3,5-difluorophenyl) thioureaRGB59433SBB090770

Show more names

Thiourea, N-(3,5-difluorophenyl)-1-(3,5-Difluorophenyl)thiourea, 1,3-Difluoro-5-thioureidobenzene

AKOS009140805PS-8441CS-0256869EN300-65481G31305amino[(3,5-difluorophenyl)amino]methane-1-thioneF669150

Database identifiers

CAS: 791594-33-7
PubChem CID: 2783293
EC Number: 157-171-0

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 70.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 146 · 146-148°C
Boiling point: 244.7 · 244.7±50.0 °C(Predicted)
Density: 1.493 · 1.493±0.06 g/cm3(Predicted)
pka: 12.02 · 12.02±0.70(Predicted)
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 301 · H301-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P310+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard Codes: T
HS Code: 2930909899 · 2930909899

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P316, 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (100%)

Safety data

hs_code: 2930909899
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: T
Hazard statements: H301-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P310+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501