3-(Trifluoromethoxy)benzohydrazide

HCID 3801099
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Basic information

CAS
321195-88-4
Standard SMILES
NNC(=O)c1cccc(OC(F)(F)F)c1
InChIKey
MNEXCWJCDZXJLF-UHFFFAOYSA-N
Molecular formula
C8H7F3N2O2
Average molar mass
220.15 g/mol
Monoisotopic mass
220.04596196

Names & identifiers

Preferred name
3-(Trifluoromethoxy)benzohydrazide
IUPAC
3-(trifluoromethoxy)benzohydrazide
English name
3-(Trifluoromethoxy)benzhydrazide
Molecular formula
C8H7F3N2O2
Molecular weight
220.15

Names & synonyms

3-(trifluoromethoxy)benzohydrazide321195-88-4DTXSID60396618RefChem:496298DTXCID50347477958-693-93-(Trifluoromethoxy)benzhydrazideMFCD03425698SCHEMBL679553AKOS015853109SB863833-Trifluoromethoxybenzoic acid hydrazide
Show more names
Benzoic acid, 3-(trifluoromethoxy)-, hydrazide
3-(Trifluoromethoxy)benzoic acid hydrazide3-trifluoromethoxy-benzoicSCHEMBL31180472SBB0959153-(trifluoromethoxy)benzenecarbohydrazide3-trifluoromethoxy-benzoic acid hydrazideAS-93583DB-021753

Database identifiers

CAS
321195-88-4
PubChem CID
3801099
DTXSID
DTXSID60396618
EC Number
958-693-9

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
64.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
15

Physicochemical properties

Melting point
94 · 94-96°C
Density
1.399 · 1.399±0.06 g/cm3(Predicted)
storage temp.
Store Cold
pka
11.74 · 11.74±0.10(Predicted)
Sensitive
Air Sensitive
Symbol(GHS)
7 · GHS07

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. 2A (100%)；Acute Tox. 4 (100%)；STOT SE 3 (100%)

Safety data

hs_code
2918999090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36/37/39

Chemistry & industry

Upstream & downstream products

Suppliers33 total

常州帝通化工有限公司+86-0519-88298848 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Changzhou Anxuan Chemical Co., Ltd+86-0519-89882563 +86-18961279162 · [email protected]
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
Aladdin Scientific[email protected]

Related reactions

2 records
New reaction record

Compound notes

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