Basic information
- CAS
2257-85-4- Standard SMILES
CN1C(=O)c2cccc(N)c2C1=O- InChIKey
MQJSMQLGNZNTFD-UHFFFAOYSA-N- Molecular formula
- C9H8N2O2
- Average molar mass
- 176.17 g/mol
- Monoisotopic mass
- 176.0585775
Names & identifiers
- Preferred name
- 4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
- IUPAC
- 4-amino-2-methylisoindole-1,3-dione
- English name
- 4-Amino-N-methylphthalimide
- Molecular formula
- C9H8N2O2
- Molecular weight
- 176.17
Names & synonyms
4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dioneRefChem:517675834-193-52257-85-44-amino-2-methylisoindoline-1,3-dione4-Amino-2-methyl-isoindole-1,3-dione4-amino-2-methylisoindole-1,3-dione4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione3-amino-n-methylphthalimide1H-Isoindole-1,3(2H)-dione, 4-amino-2-methyl-4-amino-2-methylbenzo[c]azoline-1,3-dioneMFCD02232595
Show more names
AKOS BBS-00002874IFLAB-BB F1386-0358Methyl amino phthalimideN-METHYL-4-AMINO-PHTHALIMIDE5-amino-4-methylisoindole-1,3-dione2-Methyl-4-aminoisoindoline-1,3-dione5-amino-2-methyl-isoindoline-1,3-quinone5-AMINO-2-METHYL-1H-ISOINDOLE-1,3(2H)-DIONE
3-Amino-N-methyl-phthalimidOprea1_206009SCHEMBL2036747SCHEMBL27278785DTXSID20945222SBB085479AKOS000153568FS-6469
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 63.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 246 · 246-248 °C(lit.)
- Boiling point
- 346.8 · 346.8±25.0 °C(Predicted)
- Density
- 1.411 · 1.411±0.06 g/cm3(Predicted)
- solubility
- soluble in DCM, Ethyl Acetate
- pka
- -2.08 · -2.08±0.20(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS06,GHS02
- Signal word
- Danger
- Hazard statements
- 311 · H311-H302-H314-H317-H226
- Precautionary statements
- 501 · P501-P261-P272-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06,GHS02
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- IRRITANT
- Hazard statements
- H311-H302-H314-H317-H226
- Precautionary statements
- P501-P261-P272-P270-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P361+P364-P303+P361+P353-P333+P313-P301+P330+P331-P301+P312+P330-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Chemistry & industry
Applications
Uses4-Amino-2-methyl-1H-isoindole-1,3(2H)-dione-13C4 is an intermediate in the synthesis of labelled Luminol (L474450), a chemiuminescence reagent used for the detection of copper iron, peroxide, cyanides.
Upstream & downstream products
Downstream products
Suppliers42 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
武汉吉业升化工有限公司027-83360216 18040558719 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
武汉吉业升化工有限公司15387013945 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉吉业升化工有限公司13545274181 15307147230 · [email protected]
Cangzhou Wanyou New Material Technology Co.,Ltd18631714998 · [email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
常州布克化工有限公司
Related reactions
6 records
Compound notes
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