CAS 536-40-3 4-Chlorobenzohydrazide (HCID 10816)

Names & identifiers

Preferred name: 4-Chlorobenzohydrazide
IUPAC: 4-chlorobenzohydrazide
English name: 4-CHLOROBENZHYDRAZIDE
Molecular formula: C7H7ClN2O
Molecular weight: 170.6

Names & synonyms

4-Chlorobenzohydrazide536-40-34-Chlorobenzoylhydrazinep-Chlorobenzohydrazide4-Chlorobenzoic acid hydrazidep-ChlorobenzoylhydrazineBenzoic acid, 4-chloro-, hydrazidep-Chlorobenzoic hydrazidep-Chlorobenzoyl hydrazidep-Chlorobenzoic acid, hydrazideP-CHLOROBENZHYDRAZIDE4-Chlorobenzoyl hydrazide

Show more names

INHd 15AKOS 92880AKOS BBS-00004505TIMTEC-BB SBB0038534-CHLOROBENZHYDRAZIDE

4-Chlorobenzoic acid, hydrazideNSC 54990Benzoic acid, p-chloro-, hydrazideDTXSID40201817EINECS 208-632-0RefChem:521948DTXCID70124308208-632-0

Database identifiers

CAS: 536-40-3
PubChem CID: 10816
DTXSID: DTXSID40201817
ChEMBL: CHEMBL125812
EC Number: 208-632-0
Nikkaji: J6.352E

Properties

Computed structural properties

XLogP: 1.1
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

Experimental & physicochemical properties

LogP1.12

Physicochemical properties

Melting point: 162 · 162-165 °C (lit.)
Boiling point: 170.6 °C · 170.60°C
Density: 1.323 · 1.323
refractive index: 1.5618 · 1.5618 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: soluble in Methanol
form: powder to crystal
pka: 12.09 · 12.09±0.10(Predicted)
color: White to Almost white
BRN: 511154 · 511154
InChI: InChI=1S/C7H7ClN2O/c8-6-3-1-5(2-4-6)7(11)10-9/h1-4H,9H2,(H,10,11)
InChIKey: PKBGHORNUFQAAW-UHFFFAOYSA-N
SMILES: C(NN)(=O)C1=CC=C(Cl)C=C1
CAS DataBase Reference: 536 · 536-40-3(CAS DataBase Reference)
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
WGK Germany: 3 · 3
HazardClass: IRRITANT
HS Code: 29280000 · 29280000
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 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.9%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
hs_code: 29280000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-36
hazard_class: IRRITANT
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 · 2 items

Uses4-Chlorobenzhydrazide has been used in preparation of:rod-shaped mesogenic hydrazide derivatives via Schotten-Baumann reaction with 4-n-alkoxybenzoyl chloride4-methoxybenzaldehyde-4-chlorophenyl-1-carbonyl hydrazone4-hydroxybenzaldehyde-4-chlorophenyl-1-carbonylhydrazone2-nitrobenzaldehyde-4-chlorophenyl-1-carbonylhydrazonebenzaldehyde-4-chlorophenyl-1-carbonylhydrazone

General DescriptionEffect of acidic catalyst on the reaction of 4-chlorobenzhydrazide and β-naphthol in water has been investigated.

Upstream & downstream products

Upstream raw materials

Downstream products

Acemetacin 4-BENZYL-5-(4-CHLORO-PHENYL)-4H-[1,2,4]TRIAZOLE-3-THIOL 4H-1,2,4-Triazole-4-acetic acid, 3-(4-chlorophenyl)-1,5-dihydro-5-oxo-ETHYL 3-[2-(4-CHLOROBENZOYL)HYDRAZINO]-3-IMINOPROPANOATE 2-(CHLOROMETHYL)-5-(4-CHLOROPHENYL)-1,3,4-OXADIAZOLE 2-(4-chlorophenyl)-5-Methyl-1,3,4-oxadiazole

Suppliers100 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]

常州帝通化工有限公司+86-0519-88298848 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Related reactions

79 records

New reaction record

HRID 1513As reactantuspto-grants-1998_03

HRID 1581As reactantuspto-grants-1998_03

HRID 2086As reactantuspto-grants-1998_03

HRID 2127As reactantuspto-grants-1998_03

HRID 2185As reactantuspto-grants-1998_03

HRID 29807As reactantuspto-grants-2008_09

HRID 87561As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103761As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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Basic information