2,4-Dichloro-5-isopropoxyaniline

HCID 170476

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Basic information

CAS: 41200-96-8
Standard SMILES: CC(C)Oc1cc(N)c(Cl)cc1Cl
InChIKey: RWRWIICNMOKBIQ-UHFFFAOYSA-N
Molecular formula: C9H11Cl2NO
Average molar mass: 220.09 g/mol
Monoisotopic mass: 219.02176933

Names & identifiers

Preferred name: 2,4-Dichloro-5-isopropoxyaniline
IUPAC: 2,4-dichloro-5-propan-2-yloxyaniline
English name: 2,4-DICHLORO-5-ISOPROPOXYANILINE
Molecular formula: C9H11Cl2NO
Molecular weight: 220.1

Names & synonyms

2,4-Dichloro-5-isopropoxyaniline2,4-dichloro-5-propan-2-yloxyanilineHTL4BZ5C7XBenzenamine, 2,4-dichloro-5-(1-methylethoxy)-EINECS 255-258-92,4-dichloro-5-isopropoxyphenylamineDTXSID90194124EC 255-258-92,4-DICHLORO-5-(1-METHYLETHOXY)BENZENAMINERefChem:82336DTXCID00116615255-258-9

Show more names

2,4-Dichloro-5-isopropyloxyphenylamine

41200-96-82,4-dichloro-5-(propan-2-yloxy)aniline2,4-Dichloro-5-isopropyloxyanilineMFCD009744112,4-Dichloro-5-(2-propyloxy)anilineUNII-HTL4BZ5C7XBionet2_001044Oprea1_658657

Database identifiers

CAS: 41200-96-8
PubChem CID: 170476
DTXSID: DTXSID90194124
ChEMBL: CHEMBL1892783
UNII: HTL4BZ5C7X
EC Number: 255-258-9
Nikkaji: J28.397E

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 166

Physicochemical properties

Melting point: 40 · 40-42°C
Boiling point: 110 · 110-112°C 0,2mm
Density: 1.272 · 1.272±0.06 g/cm3(Predicted)
Flash point: 110 · 110-112°C/0.2mm
pka: 1.98 · 1.98±0.10(Predicted)
BRN: 2836827 · 2836827
CAS DataBase Reference: 41200 · 41200-96-8(CAS DataBase Reference)
FDA UNII: 4 BZ5C7X · HTL4BZ5C7X
Symbol(GHS): 6 · GHS06
Signal word: Danger
Hazard statements: 302 · H302-H312-H315-H319-H331-H335
Precautionary statements: 261 · P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes: Xi
Risk Statements: 20 · 20/21/22
Safety Statements: 28 · 28-36/37
RIDADR: 2811 · 2811
Hazard Note: Irritant
HazardClass: 6.1 · 6.1
PackingGroup: III
HS Code: 2922290090 · 2922290090
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302+H312 (94.3%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oral; acute toxicity, dermal]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 70 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Cease Manufacture Update: 27-02-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12596

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

ridadr: 2811
hs_code: 2922290090
risk_code: 20/21/22
Signal word: Danger
Symbol(GHS): GHS06
hazard_code: Xi
hazard_note: Irritant
safety_code: 28-36/37
hazard_class: 6.1
packing_group: III
Hazard statements: H302-H312-H315-H319-H331-H335
REACH Registrations: Inactive
Precautionary statements: P261-P280-P304+P340-P305+P351+P338-P405-P501a

Chemistry & industry

Applications · 1 item

Uses2,4-Dichloro-5-isopropoxyaniline is an important intermediate for dyes, medicines and pesticides, especially for the synthesis of 1,2,4,5-tetra-substituted benzene nitrogen-containing heterocyclic herbicides such as Oxadiazon, 2-[2,4-Dichloro-5-(1-methylethoxy)phenyl]-4-(2-fluoroethyl)-1,2,4-triazine-3, 5(2H, 4H)-dione, etc.