2-Chloro-6,7-dimethoxy-4-quinazolinamine (HCID 90235)

Names & identifiers

Preferred name: 2-Chloro-6,7-dimethoxy-4-quinazolinamine
IUPAC: 2-chloro-6,7-dimethoxyquinazolin-4-amine
English name: 2-Chloro-4-amino-6,7-dimethoxyquinazoline
Molecular formula: C10H10ClN3O2
Molecular weight: 239.66

Names & synonyms

23680-84-44-Amino-2-chloro-6,7-dimethoxyquinazoline2-Chloro-6,7-dimethoxyquinazolin-4-amine2-Chloro-4-amino-6,7-dimethoxyquinazoline2-Chloro-6,7-dimethoxy-4-quinazolinamine4-Quinazolinamine, 2-chloro-6,7-dimethoxy-DTXSID3057694FG7Z4T71Y4EINECS 245-821-7DTXCID4031483EC 245-821-7DOXAZOSIN MESILATE IMPURITY F [EP IMPURITY]

Show more names

QUINAZOLINAMINEACDQTerazosin-0012-Chloro-4-AMino-6TIMTEC-BB SBB000787Prazosin EP Impurity A7-DiMethoxy-Quinazoline

PRAZOSIN HYDROCHLORIDE IMPURITY A [EP IMPURITY]QUINAZOLINE, 4-AMINO-2-CHLORO-6,7-DIMETHOXY-ALFUZOSIN HYDROCHLORIDE IMPURITY B [EP IMPURITY]TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY A [EP IMPURITY]DOXAZOSIN MESILATE IMPURITY F (EP IMPURITY)PRAZOSIN HYDROCHLORIDE IMPURITY A (EP IMPURITY)ALFUZOSIN HYDROCHLORIDE IMPURITY B (EP IMPURITY)TERAZOSIN HYDROCHLORIDE DIHYDRATE IMPURITY A (EP IMPURITY)

Database identifiers

CAS: 23680-84-4
PubChem CID: 90235
DTXSID: DTXSID3057694
ChEMBL: CHEMBL3561187
UNII: FG7Z4T71Y4
EC Number: 245-821-7
Nikkaji: J86.521D

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 70.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 244

Physicochemical properties

Melting point: 262 · 262-268 °C (dec.)(lit.)
Boiling point: 374 · 374.0±42.0 °C(Predicted)
Density: 1.5062 · 1.5062 (rough estimate)
vapor pressure: 0 Pa · 0Pa at 25℃
refractive index: 1.55 · 1.5500 (estimate)
storage temp.: 2 · 2-8°C
solubility: DMSO (Sparingly, Heated), Methanol (Slightly, Heated)
form: Solid
pka: 4.35 · 4.35±0.30(Predicted)
color: White to Off-White
Water Solubility: 1.418 g/L · 1.418g/L at 25℃
BRN: 747463 · 747463
Major Application: pharmaceutical (small molecule)
InChI: 1S/C10H10ClN3O2/c1-15-7-3-5-6(4-8(7)16-2)13-10(11)14-9(5)12/h3-4H,1-2H3,(H2,12,13,14)
InChIKey: HWIIAAVGRHKSOJ-UHFFFAOYSA-N
SMILES: COc1cc2nc(Cl)nc(N)c2cc1OC
LogP: 1.5 at · 1.5 at 25℃
CAS DataBase Reference: 23680 · 23680-84-4(CAS DataBase Reference)
FDA UNII: 7 Z4T71Y4 · FG7Z4T71Y4
NIST Chemistry Reference: 4 · 4-Amino-2-chloro-6,7-dimethoxyquinazoline(23680-84-4)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36/37/38-20/21/22
Safety Statements: 26 · 26-36-37/39
WGK Germany: 3 · 3
F: 10 · 10
HazardClass: IRRITANT
HS Code: 29339900 · 29339900
Storage Class: 13 · 13 - Non Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (37.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 146 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 16-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/17542

Hazard Classes and CategoriesAcute Tox. 4 (37.7%)

Safety data

F: 10
wgk: 3
hs_code: 29339900
risk_code: 36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,Xn
safety_code: 26-36-37/39
hazard_class: IRRITANT
Storage Class: 13 - Non Combustible Solids
target organs: Respiratory system
Hazard statements: H315-H319-H335
REACH Registrations: Active
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesIntermediate in the production on Terazosin.

Upstream & downstream products

Upstream raw materials

Urea, N-cyano-N'-(3,4-dimethoxyphenyl)-4-Quinazolinamine, 2-chloro-5-iodo-6,7-dimethoxy-157459-53-5 6,7-Dimethoxyquinazoline-2,4-dione 3,4-Dimethoxy-6-nitrobenzamide 4,5-Dimethoxy-2-nitrobenzoic acid 4-Aminoveratrole 2-Amino-4,5-dimethoxybenzamide 2,4-Dichloroquinazoline Methyl 3,4-dimethoxybenzoate 2,4-Dichloro-6,7-dimethoxyquinazoline Methyl 2-amino-4,5-dimethoxybenzoate

Downstream products

Alfuzosin ({3-[(4-Amino-6,7-dimethoxy-2-quinazolinyl)(methyl)amino]propyl}amino)(2-furyl)methanol Doxazosin hydrochloride

Suppliers50 total

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

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

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

INTATRADE GmbH+49 3493/605464 · [email protected]

宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]

Related reactions

150 records

New reaction record

HRID 94732As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103285As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 116873As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 117918As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124185As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 127273As reactantuspto-grants-1981_03

HRID 127274As reactantuspto-grants-1981_03

Linked notes

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Basic information