Basic information
- CAS
12239-15-5- Standard SMILES
Cc1nn(-c2ccccc2)c(N)c1N=Nc1cc(Cl)c(S(=O)(=O)O)cc1Cl- InChIKey
QHVBDWZOQBMLLW-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N5O3S
- Average molar mass
- 426.3 g/mol
- Monoisotopic mass
- 425.0116159
Names & identifiers
- Preferred name
- 4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichlorobenzenesulphonic acid
- IUPAC
- 4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid
- English name
- Acid Yellow 49
- Molecular formula
- C16H13Cl2N5O3S
- Molecular weight
- 426.28
Names & synonyms
4-[(5-amino-3-methyl-1-phenyl-1h-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acidBenzenesulfonic acid, 4-((5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichloro-Benzenesulfonic acid, 4-(2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl)-2,5-dichloro-4-((5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo)-2,5-dichlorobenzenesulphonic acidBenzenesulfonic acid, 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro-Benzenesulfonic acid, 4-[2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichloro-RefChem:509607benzenesulfonic acid, 4-(5-amino-3-methyl-1-phenyl-1h-pyrazol-4-yl)azo-2,5-dichloro-235-473-412239-15-5C.I. ACID YELLOW 49ACID YELLOW 49
Show more names
Yellow NFGC.I.AcidYellow49Reaxys ID: 6013923Kayanol Yellow NFGSupracen Yellow GRAminyl Yellow E-3GLNylosan Yellow E-4GAcid Fast Yellow NFGEveracid Yellow 4NGL
4-[(5-amino-3-methyl-1-phenylpyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acid4-[2-(5-Amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichlorobenzenesulfonic acidEINECS 235-473-4orb2566721DTXSID9065289SCHEMBL11697203SCHEMBL12669300QHVBDWZOQBMLLW-UHFFFAOYSA-N
Database identifiers
- CAS
12239-15-5- PubChem CID
- 25537
- DTXSID
DTXSID9065289- EC Number
- 235-473-4
- Nikkaji
- J52.372K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 640
Physicochemical properties
- Boiling point
- 613.74 ℃[at · 613.74℃[at 101 325 Pa]
- Density
- 1.62 · 1.62[at 20℃]
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- -2.18 · -2.18±0.50(Predicted)
- Water Solubility
- 273.4 μg/L · 273.4μg/L at 25℃
- InChI
- InChI=1S/C16H13Cl2N5O3S/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26/h2-8H,19H2,1H3,(H,24,25,26)
- InChIKey
- QHVBDWZOQBMLLW-UHFFFAOYSA-N
- SMILES
- C1(S(O)(=O)=O)=CC(Cl)=C(N=NC2=C(N)N(C3=CC=CC=C3)N=C2C)C=C1Cl
- LogP
- 1.702 at · 1.702 at 25℃
- CAS DataBase Reference
- 12239 · 12239-15-5
- EPA Substance Registry System
- 49 · C.I. Acid Yellow 49 (12239-15-5)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
- REACH Registrations
- Inactive
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
This chemical does not meet GHS hazard criteria for 24.6% (31 of 126) of reports.
Warning
H302 (30.2%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 126 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzenesulfonic acid, 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro-
REACH registered substance: 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonic acid (EC: 235-473-4)
Benzenesulfonic acid, 4-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo-2,5-dichloro-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichloro-: Human health tier I assessment
Hazard Classes and CategoriesAcute Tox. 4 (30.2%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- REACH Registrations
- Inactive
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenesulfonic acid, 4-[2-(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)diazenyl]-2,5-dichloro-: ACTIVE
Applications
UsesC.I. Acid yellow 49 is an acidic yellow dye that can be adsorbed and removed by bentone.
Preparation methods
Preparation4-Amino-2,5-dichlorobenzenesulfonic acid diazo, and 3-Methyl-1-phenyl-1H-pyrazol-5-aminecoupling.
Upstream & downstream products
Upstream raw materials
Suppliers41 total
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
河北永泰供应链管理有限公司15130657697 15130657697 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
超彩实业有限公司0574-83851061 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
高邮市恒盛化工有限公司13505274666 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
JADECHEM (NINGBO) CO.,LTD.574-89075960 · [email protected]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
武汉克米克生物医药技术有限公司027-13163388153 13163388153 · [email protected]
石家庄晔晟化工科技有限公司18031147013 18031147013 · [email protected]
Nanjing FNAT Chemical Co.,Ltd.+86-25-86442672 13451895519 · [email protected]
武汉峰耀同辉化学制品有限公司027-87466105 15377573527 · [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]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
上海亿万化工有限公司00-18662433356 18662433356 · [email protected]
广州市禄涞医药科技有限公司13660253774 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
沈阳华希生物科技有限公司23769576 13840269002 · [email protected]
杭州恒升化工有限公司0086-571-88523165 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-15350571055 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
AFINE CHEMICALS LIMITED+86-571-85134551 +86-18958018566 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Winchem industrial co limited+86-13003762012 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
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Compound notes
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