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Basic information
- CAS
85-84-7- Standard SMILES
Nc1ccc2ccccc2c1N=Nc1ccccc1- InChIKey
KLCDQSGLLRINHY-UHFFFAOYSA-N- Molecular formula
- C16H13N3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.11094743
Names & identifiers
- Preferred name
- Yellow No. 2
- IUPAC
- 1-phenyldiazenylnaphthalen-2-amine
- English name
- YELLOW AB
- Molecular formula
- C16H13N3
- Molecular weight
- 247.29
Names & synonyms
85-84-71-Phenylazo-2-naphthylamine1-(Phenylazo)-2-naphthylamineYellow No. 23VSI4D701XNSC-11228DTXSID0058932NSC11228FD&C Yellow No. 3RefChem:572437Ext D&C Yellow No. 9DTXCID7048459
Show more names
KI404jauneabCI 11380yellowno2NSC 11228oilyellowayellowno.2
YELLOW ABSolvent Yellow 5C.I. Food Yellow 10Grasal YellowJaune ABCerisol Yellow ABDolkwal Yellow AB1-(Phenyldiazenyl)naphthalen-2-amine
Database identifiers
- CAS
85-84-7- PubChem CID
- 6824
- DTXSID
DTXSID0058932- ChEMBL
CHEMBL1734418、CHEMBL86177- ChEBI
CHEBI:82554- UNII
- 3VSI4D701X
- EC Number
- 201-636-3
- Nikkaji
- J3.889J、J485.143I
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 309
Physicochemical properties
- Melting point
- 102 · 102-104°
- Boiling point
- 380.33 °C · 380.33°C (rough estimate)
- Density
- 1.1633 · 1.1633 (rough estimate)
- refractive index
- 1.647 · 1.6470 (estimate)
- pka
- 1.87 · 1.87±0.10(Predicted)
- Water Solubility
- 0.3 mg/L · 0.3mg/L(37 ºC)
- Henry's Law Constant
- 1.9 · 1.9×104 mol/(m3Pa) at 25℃, HSDB (2015)
- CAS DataBase Reference
- 85 · 85-84-7
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 3 VSI4D701X · 3VSI4D701X
- IARC
- 3 · 3 (Vol. 8, Sup 7) 1987
- EPA Substance Registry System
- 1 · 1-(Phenylazo)-2-naphthylamine (85-84-7)
- TSCA
- TSCA listed
- Hazardous Substances Data
- 85 · 85-84-7(Hazardous Substances Data)
- Toxicity
- 1 gm/kg · LDLo oral in mouse: 1gm/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- Toxicity
- LDLo oral in mouse: 1gm/kg
- Hazardous Substances Data
- 85-84-7(Hazardous Substances Data)
Chemistry & industry
Applications
UsesBiological stain.
Uses1-Phenylazo-2-naphthylamine is an azo-dye and toxic agrochemical.
Preparation methods
PreparationAniline diazo, and Naphthalen-2-aminecoupling.
Upstream & downstream products
Upstream raw materials
Suppliers24 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
苏州杉洋新材料有限公司0512-63268889 18506119477 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
北京迈瑞达科技有限公司010-82387566 18001021521 · [email protected]
陕西萃康医药科技有限公司13186333400 19299362551 · [email protected]
上海锋基医药科技有限公司15555063509 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
广州市海珠区正鸿商行020-82550624 13016020539 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Additional notes
DefinitionChEBI: Yellow AB is a member of azobenzenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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