Basic information
- CAS
12217-80-0- Standard SMILES
COCCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O- InChIKey
WBCXRDHKXHADQF-UHFFFAOYSA-N- Molecular formula
- C20H17N3O5
- Average molar mass
- 379.4 g/mol
- Monoisotopic mass
- 379.11682064
Overview
dye; structure in first source
Names & identifiers
- Preferred name
- Disperse Blue 60
- IUPAC
- 4,11-diamino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
- English name
- 4,11-diamino-2-(3-methoxypropyl)-1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone
- Molecular weight
- 0
Names & synonyms
Disperse Blue 6012217-80-0C.I. DISPERSE BLUE 60DTXSID50652711H-Naphth(2,3-f)isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-RefChem:438842DTXCID6033742235-402-7608-834-2Disperse Blue 60 (Technical Grade)4,11-diamino-2-(3-methoxypropyl)naphtho[2,3-f]isoindole-1,3,5,10-tetrone
Show more names
3316-13-0MFCD000719214,11-diamino-2-(3-methoxypropyl)-1H-naphtho[2,3-f]isoindole-1,3,5,10(2H)-tetroneEINECS 235-402-74,11-DIAMINO-2-(3-METHOXYPROPYL)-1H-NAPHTH[2,3-F]ISOINDOLE-1,3,5,10(2H)-TETRONEDISPERSEBLUE60orb2566446SCHEMBL5007718
Database identifiers
- CAS
12217-80-0、3316-13-0- PubChem CID
- 25530
- DTXSID
DTXSID5065271- EC Number
- 235-402-7、608-834-2
- Nikkaji
- J332.517B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 656
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 44.4% (79 of 178) of reports.
Warning
H302 (25.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 178 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-
Status: Active Update: 15-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17271
1H-Naphth2,3-fisoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 3 (25.8%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1H-Naphth[2,3-f]isoindole-1,3,5,10(2H)-tetrone, 4,11-diamino-2-(3-methoxypropyl)-: ACTIVE
Suppliers67 total
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
太原市瑞和丰科贸有限公司+86 351 7031519 · [email protected]
湖北长耀生物科技有限公司17683887209 17683887209 · [email protected]
广东云星生物技术有限公司0751-18902340975/189023400307 18902340307 · [email protected]
山东洛克化工有限公司17653113209 13065062079 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
甘肃金缘泰新材料有限公司+86-025-86618065 +86-13914714331 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
Related reactions
1 records
Compound notes
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