CAS 637-04-7 m-Tolylhydrazinium(1+) chloride (HCID 71562)

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Basic information

CAS: 637-04-7
Standard SMILES: Cc1cccc(NN)c1.Cl
InChIKey: SHTBTGXNVWYODU-UHFFFAOYSA-N
Molecular formula: C7H11ClN2
Average molar mass: 158.63 g/mol
Monoisotopic mass: 158.06107603

Names & identifiers

Preferred name: m-Tolylhydrazinium(1+) chloride
IUPAC: (3-methylphenyl)hydrazine;hydrochloride
English name: 3-Methylphenylhydrazine hydrochloride
Molecular formula: C7H11ClN2
Molecular weight: 158.63

Names & synonyms

m-Tolylhydrazinium(1+) chlorideEINECS 211-276-9DTXSID60213098NSC 66534RefChem:800406DTXCID60135589211-276-93-Methylphenylhydrazine hydrochloride637-04-7m-Tolylhydrazine hydrochloride(3-methylphenyl)hydrazine hydrochlorideM-Tolyhydrazine hydrochloride

Show more names

3-METHYLPHENYLHYDRAZINE HCLM-TOLYLHYDRAZINIUM CHLORIDEM-METHYLPHENYLHYDRAZINE HCLM-Tolylhydrazinehydrochlori3-Tolylhydrazinium Chloride3-TOLYLHYDRAZINE HYDROCHLORIDEmeta-tolylhydrazine hydrochloride

MFCD00012932(3-methylphenyl)hydrazine;hydrochlorideHydrazine, (3-methylphenyl)-, monohydrochlorideSCHEMBL519846EN300-03739(3-Methylphenyl)hydrazine Hydrochloride; (3-Methylphenyl)hydrazine Monohydrochloride; 1-(3-Methylphenyl)hydrazine Hydrochloride;3-Methyl phenylhydrazine hydrochloridem-tolylhydrazine;hydrochloride

Database identifiers

CAS: 637-04-7
PubChem CID: 71562
DTXSID: DTXSID60213098
EC Number: 211-276-9

Properties

Computed structural properties

Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 83

Physicochemical properties

Melting point: 184 · 184-194 °C (dec.)(lit.)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
form: Solid
color: White to Off-White
BRN: 3563995 · 3563995
Stability: Hygroscopic
InChI: 1S/C7H10N2.ClH/c1-6-3-2-4-7(5-6)9-8;/h2-5,9H,8H2,1H3;1H
InChIKey: SHTBTGXNVWYODU-UHFFFAOYSA-N
SMILES: Cl.Cc1cccc(NN)c1
CAS DataBase Reference: 637 · 637-04-7(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN2811
hs_code: 29280000
risk_code: 20/21/22-36/37/38-40
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Harmful/Irritant
safety_code: 26-36/37/39
hazard_class: 6.1
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H302+H312+H332-H315-H319-H335
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3

Chemistry & industry

Applications

Uses3-Methylphenylhydrazine Hydrochloride is used in synthesis of 3H-1,2,4-triazol-3-ones via NiCl2-promoted cascade annulation of hydrazonoyl chlorides and sodium cyanate.