1H-indole-3-carbohydrazide
Basic information
- CAS
15317-58-5- Standard SMILES
NNC(=O)c1c[nH]c2ccccc12- InChIKey
QHUYDKZSGDJDSC-UHFFFAOYSA-N- Molecular formula
- C9H9N3O
- Average molar mass
- 175.19 g/mol
- Monoisotopic mass
- 175.07456192
Names & identifiers
- Preferred name
- 1H-indole-3-carbohydrazide
- IUPAC
- 1H-indole-3-carbohydrazide
- English name
- 1H-INDOLE-3-CARBOXYLIC ACID HYDRAZIDE
- Molecular formula
- C9H9N3O
- Molecular weight
- 175.19
Names & synonyms
1H-indole-3-carbohydrazide1H-Indole-3-carboxylic acid hydrazideRefChem:438720673-252-815317-58-5MFCD00464063INDOLE-3-CARBOXYLIC ACID, HYDRAZIDEindole-3-carbohydrazide1H-Indole-3-carboxylic acid, hydrazideBRN 0154574BAS 01060496Oprea1_426499
Show more names
AKOS BC-1552AKOS B000103BUTTPARK 148\07-47CHEMBRDG-BB 3000103TIMTEC-BB SBB009151ART-CHEM-BB B000103Indole-3-carboxylic acid hydrazide1H-indole-3-carbohydrazide(SALTDATA: FREE)
Oprea1_4409315-22-03-00034 (Beilstein Handbook Reference)SCHEMBL474836SCHEMBL29135561DTXSID90165238QHUYDKZSGDJDSC-UHFFFAOYSA-NALBB-002504BBL015325
Database identifiers
- CAS
15317-58-5- PubChem CID
- 27199
- DTXSID
DTXSID90165238- EC Number
- 673-252-8
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 70.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Melting point
- 224 · 224-226 °C (decomp)
- Density
- 1.353 · 1.353±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- DMSO (Sparingly), Ethanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- 13.07 · 13.07±0.30(Predicted)
- color
- Pale Yellow to Pale Beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- Safety Statements
- 26 · 26
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2933998090
- risk_code
- 36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- hazard_class
- IRRITANT
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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