4-Iodobenzenecarbohydrazide

HCID 306104

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Basic information

CAS: 39115-95-2
Standard SMILES: NNC(=O)c1ccc(I)cc1
InChIKey: ZVFGHUJYTXEOSI-UHFFFAOYSA-N
Molecular formula: C7H7IN2O
Average molar mass: 262.05 g/mol
Monoisotopic mass: 261.96031

Names & identifiers

Preferred name: 4-Iodobenzenecarbohydrazide
IUPAC: 4-iodobenzohydrazide
English name: 4-Iodobenzhydrazide
Molecular formula: C7H7IN2O
Molecular weight: 262.05

Names & synonyms

4-iodobenzenecarbohydrazideRefChem:524241674-177-34-iodobenzohydrazide4-Iodobenzhydrazide39115-95-2MFCD002701074-iodobenzoylhydrazine4 Iodo benzohydrazideNSC2034304-Iodobenzoic acid hydrazide4-iodo-benzoic acid hydrazide

Show more names

ASISCHEM D13390Benzoic acid, 4-iodo-, hydrazide

4-Iodobenzoi4-iodanylbenzohydrazide4-Jod-benzoyl-hydrazin4-Iodo Benzoyl Hydrazine4-Iodobenzoic acid, hydrazideSCHEMBL1363640CHEMBL3091864DTXSID10308403

Database identifiers

CAS: 39115-95-2
PubChem CID: 306104
DTXSID: DTXSID10308403
ChEMBL: CHEMBL3091864
EC Number: 674-177-3
Nikkaji: J1.560.320H

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 55.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 143

Physicochemical properties

Melting point: 173 °C · 173 °C
Density: 1.884 · 1.884±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 12.13 · 12.13±0.10(Predicted)
Appearance: Off-white to light brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 233 · P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HazardClass: IRRITANT
HS Code: 2928009090 · 2928009090

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)

Safety data

hs_code: 2928009090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36/37/39
hazard_class: IRRITANT
Hazard statements: H315-H319-H335
Precautionary statements: P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501