Thiophene-2-carbohydrazide (HCID 73098)

Overview

structure in first source

Names & identifiers

Preferred name: Thiophene-2-carbohydrazide
IUPAC: thiophene-2-carbohydrazide
English name: 2-Thiophenecarboxylic acid hydrazide
Molecular formula: C5H6N2OS
Molecular weight: 142.18

Names & synonyms

Thiophene-2-carbohydrazide2361-27-5Thiophene-2-carboxylic acid hydrazide2-Thiophenecarboxylic acid, hydrazideW4J3WEF93NNSC-653DTXSID80178271RefChem:189615DTXCID10100762219-107-02-Thiophenecarboxylic acid hydrazide2-Thenoylhydrazine

Show more names

THENOIC HYDRAZIDEAKOS BBS-00004097LABOTEST-BB LT00772322hiophene-2-carbohydrazide2-Thiophenecarbonyl hydrazideThiophene-2-carbohydrazide 98%

2-ThiophenecarbohydrazideThiophene-2-carboxylic hydrazide2-Thiophenecarboxylic hydrazideMFCD000054352-Thiophenecarbohydrazonic acid2-Thiophenecarboxylicacidhydrazide2-Thienylcarboxylic acid hydrazide2-Thenoic hydrazide

Database identifiers

CAS: 2361-27-5
PubChem CID: 73098
DTXSID: DTXSID80178271
ChEMBL: CHEMBL3091844
UNII: W4J3WEF93N
EC Number: 219-107-0
Nikkaji: J170H

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 83.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 136 · 136-139 °C(lit.)
Density: 1.291 · 1.291 (estimate)
refractive index: 1.643 · 1.6430 (estimate)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
form: Crystalline Powder
pka: 12.43 · 12.43±0.10(Predicted)
color: Slightly yellow to beige
BRN: 114437 · 114437
InChI: 1S/C5H6N2OS/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey: SOGBOGBTIKMGFS-UHFFFAOYSA-N
SMILES: NNC(=O)c1cccs1
CAS DataBase Reference: 2361 · 2361-27-5(CAS DataBase Reference)
FDA UNII: 4 J3WEF93N · W4J3WEF93N
NIST Chemistry Reference: 2 · 2-Thiophenecarboxylic acid, hydrazide(2361-27-5)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (98%): Causes skin irritation [Warning Skin corrosion/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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (98%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29349990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36-24/25
Storage Class: 11 - Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2-Thiophenecarboxylic acid hydrazide features a planar molecular structure with cis-oriented torsion angles of less than 10° and serves as a ligand for transition metal complexes involving manganese, cobalt, nickel, copper, zinc, cadmium, palladium, and ruthenium[1]. The compound reacts with isatin in ethanol under reflux to synthesize 2-thiophenecarbonylhydrazone-3-isatin[2].