CAS 62052-49-7 6-Methyl-1,3-dioxaindan-5-amine (HCID 12445340)

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Basic information

CAS: 62052-49-7
Standard SMILES: Cc1cc2c(cc1N)OCO2
InChIKey: PFLGEPXBHVTBNJ-UHFFFAOYSA-N
Molecular formula: C8H9NO2
Average molar mass: 151.16 g/mol
Monoisotopic mass: 151.06332853

Names & identifiers

Preferred name: 6-Methyl-1,3-dioxaindan-5-amine
IUPAC: 6-methyl-1,3-benzodioxol-5-amine
English name: CHEMBRDG-BB 9071726
Molecular formula: C8H9NO2
Molecular weight: 151.16

Names & synonyms

6-methyl-1,3-dioxaindan-5-amineRefChem:543770964-194-762052-49-76-Methylbenzo[d][1,3]dioxol-5-amine(6-Methyl-1,3-benzodioxol-5-yl)amine6-methyl-1,3-benzodioxol-5-amine6-methyl-2H-1,3-benzodioxol-5-amineMFCD006665996-methyl-2H-benzo[d]1,3-dioxolene-5-ylamineSCHEMBL1027495SCHEMBL30030734

Show more names

CHEMBRDG-BB 90717261,3-Benzodioxol-5-amine, 6-methyl-3,4-(Methylenedioxy)-6-methylaniline(6-methyl-1,3-benzodioxol-5-yl)amine(SALTDATA: FREE)

DTXSID60498520PFLGEPXBHVTBNJ-UHFFFAOYSA-NALBB-025243SBB072242STK895046(3,4-methylenedioxy)-6-methylanilineAKOS003351192CCG-344703

Database identifiers

CAS: 62052-49-7
PubChem CID: 12445340
DTXSID: DTXSID60498520
EC Number: 964-194-7

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 44.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 151

Physicochemical properties

Boiling point: 288.7 · 288.7±39.0 °C(Predicted)
Density: 1.268 · 1.268±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
pka: 4.63 · 4.63±0.20(Predicted)
Appearance: Light brown to brown Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501