Completing data — usually done within a minute
Basic information
- Standard SMILES
O=S1(=O)OC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)c2ccccc21- InChIKey
WWAABJGNHFGXSJ-UHFFFAOYSA-N- Molecular formula
- C19H12Cl2O5S
- Average molar mass
- 423.273 g/mol
- Monoisotopic mass
- 421.97824984
Names & identifiers
- Preferred name
- Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro-
- IUPAC
- 3,3-Bis(3-chloro-4-hydroxyphenyl)-2,1lambda~6~-benzoxathiole-1,1(3H)-dione
- English name
- Chlorophenol Red
- Molecular formula
- C19H12Cl2O5S
- Molecular weight
- 423.27
Names & synonyms
CPRNsc 7828BETZ 0416chlorphenolredChlorophenolReCHLOROPHENOL REDChlorotexReagentChlorophenolRedGrChlorophenolRed>TIMTEC-BB SBB005925
Database identifiers
- CAS
4430-20-0- PubChem CID
- 20486
- DTXSID
DTXSID4063450- UNII
- P3S5KH33EA
- EC Number
- 224-619-2
Properties
Physicochemical properties
- Melting point
- 261 °C · 261 °C
- Boiling point
- 583 · 583.0±50.0 °C(Predicted)
- Density
- 1.4641 · 1.4641 (estimate)
- bulk density
- 720 kg/m3 · 720kg/m3
- storage temp.
- 30 °C · Store below +30°C.
- solubility
- Solubility Sparingly soluble in water; soluble in ethanol
- pka
- 6 · 6.0(at 25℃)
- form
- Liquid
- color
- White to cream
- PH Range
- 4.8 · 4.8(yellow)-6.8(red)
- PH
- 4.8 · 4.8-6.7, yellow to violet
- Water Solubility
- insoluble
- ε(extinction coefficient)
- 12000 at · ≥12000 at 295-301nm in 0.1 M NaOH≥45000 at 573-579nm in 0.1 M NaOH≥5000 at 368-374nm in 0.1 M NaOH
- λmax
- 572 nm · 572nm
- BRN
- 354053 · 354053
- Major Application
- Waveguide, sol-gel matrix, display device, tin electroplating process, inks, lubricants, detergents, preservation of cut flowers, cosmetics, identifying fresh and stale rice, determining acidity in wine, food storage, detecting lactic acid bacteria, enzyme assays, diagnosis of bacterial and fungal infection, oral hygiene products
- InChI
- 1S/C19H12Cl2O5S/c20-14-9-11(5-7-16(14)22)19(12-6-8-17(23)15(21)10-12)13-3-1-2-4-18(13)27(24,25)26-19/h1-10,22-23H
- InChIKey
- WWAABJGNHFGXSJ-UHFFFAOYSA-N
- SMILES
- Oc1ccc(cc1Cl)C2(OS(=O)(=O)c3ccccc23)c4ccc(O)c(Cl)c4
- CAS DataBase Reference
- 4430 · 4430-20-0(CAS DataBase Reference)
- NCI Dictionary of Cancer Terms
- CPR
- FDA UNII
- 3 S5KH33EA · P3S5KH33EA
- EPA Substance Registry System
- 4 · Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2-chloro- (4430-20-0)
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 47 · NA.47
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H335-H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
UsesChlorophenol Red; Dyes and metabolites. Is used in detection of nicotine, cannabinoids and drugs of abuse on vaping device surfaces and vaping liquid formulations.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
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阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
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成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
资川生化科技(苏州)有限公司0512-66317708 13372112871 · [email protected]
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Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
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