ChemicalBook--->CAS DataBase List--->4442-59-5

4442-59-5

4442-59-5 Structure

4442-59-5 Structure
IdentificationMore
[Name]

2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYLAMINE
[CAS]

4442-59-5
[Synonyms]

2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYLAMINE
(2,3-DIHYDROBENZO[B][1,4]DIOXIN-2-YL)METHANAMINE
2-AMINOMETHYL-1,4-BENZODIOXAN
2-AMINOMETHYL-2,3-DIHYDRO-BENZO[1,4]DIOXINE
2-(AMINOMETHYL)BENZODIOXAN
AKOS BB-8797
BUTTPARK 36\04-10
C-(2,3-DIHYDRO-BENZO[1,4]DIOXIN-2-YL)-METHYLAMINE
CHEMBRDG-BB 4100090
RARECHEM AL BW 1447
TIMTEC-BB SBB006958
1,4-benzodioxan-2-methylamine
2,3-dihydro-1,4-benzodioxin-2-methanamine
2,3-dihydro-4-benzodioxin-2-methanamine
946f
aminomethylbenzodioxan
fourneau946
2,3-dihydro-1,4-benzodioxin-2-methylamine
2-Aminomethylbenzodioxane
2-Aminoethylbenzodioxane
[EINECS(EC#)]

224-671-6
[Molecular Formula]

C9H11NO2
[MDL Number]

MFCD00203985
[Molecular Weight]

165.19
[MOL File]

4442-59-5.mol
Chemical PropertiesBack Directory
[Melting point ]

184-188 °C
[Boiling point ]

105-110 °C/3 mmHg
[density ]

1.1679 g/mL at 25 °C
[refractive index ]

n20/D 1.5594
[storage temp. ]

under inert gas (nitrogen or Argon) at 2–8 °C
[solubility ]

Chloroform, Ethyl Acetate
[form ]

Oil
[pka]

8.88±0.29(Predicted)
[color ]

Clear Colorless
[InChI]

1S/C9H11NO2/c10-5-7-6-11-8-3-1-2-4-9(8)12-7/h1-4,7H,5-6,10H2
[InChIKey]

JHNURUNMNRSGRO-UHFFFAOYSA-N
[SMILES]

NCC1COc2ccccc2O1
[CAS DataBase Reference]

4442-59-5(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R34:Causes burns.
R41:Risk of serious damage to eyes.
R37/38:Irritating to respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2735
[WGK Germany ]

3
[RTECS ]

DF3676000
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

2932990090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Dam. 1
Skin Irrit. 2
STOT SE 3
[Toxicity]

LDLo intravenous in rabbit: 60mg/kg
Hazard InformationBack Directory
[Uses]

2-Aminomethyl-1,4-benzodioxane is used in the synthesis of N-substituted (dihydrobenzodioxinyl)methylamine derivatives as D2 antagonists/5-HT1A partial agonists with potential as atypical antipsychotic agents in relation to affinity for α1 adrenoceptors.
Spectrum DetailBack Directory
[Spectrum Detail]

2,3-DIHYDRO-1,4-BENZODIOXIN-2-YLMETHYLAMINE(4442-59-5)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

2,3-dihydro-1,4-benzodioxin-2-ylmethylamine(4442-59-5)
[Sigma Aldrich]

4442-59-5(sigmaaldrich)
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