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Isonicotinic acid hydrazide

CAT: 0286-I07500-02Size: 500 gDry Ice: NoHazardous: No
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CAT#:0286-I07500-02Size:500 g
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CAS Number
54-85-3
Synonyms
Isoniazid; Hycozid; Neumandin; Nikozid; Pelazid; Raumanon; Robisellin; Tebecid
Pictogram
07 - Irritant
UDF Signal Word
Warning
MDL Number
MFCD00006426
Hazard Statement
H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled; H335 May cause respiratory irritation.
DOT Name
Not D.O.T.-Regulated
Precautions
P261 Avoid breathing dust/fume/gas/mist/vapors/spray; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

Isoniazid

Isoniazide is a carbohydrazide obtained by formal condensation between pyridine-4-carboxylic acid and hydrazine. It has a role as an antitubercular agent and a drug allergen. It is functionally related to an isonicotinic acid.

CAS Number54-85-3
PubChem CID3767
IUPAC Namepyridine-4-carbohydrazide
Molecular FormulaC6H7N3O
Molecular Weight137.14
XLogP-0.7
Topological Polar Surface Area68
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity120
SMILES
C1=CN=CC=C1C(=O)NN
InChI
InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
InChIKey
QRXWMOHMRWLFEY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoniazid
CAS: 54-85-3
CID: 3767
Formula: C6H7N3O
MW: 137.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.14
XLogP3-0.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass137.058911855
Monoisotopic Mass137.058911855
Topological Polar Surface Area68 Ų
Heavy Atom Count10
Formal Charge0
Complexity120
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes