Basic information
- CAS
101-38-2- Standard SMILES
O=C1C(Cl)=CC(=NCl)C=C1Cl- InChIKey
YHUMTHWQGWPJOQ-UHFFFAOYSA-N- Molecular formula
- C6H2Cl3NO
- Average molar mass
- 210.4 g/mol
- Monoisotopic mass
- 208.920197
Overview
universal thin-layer chromatographic visualization reagent
Names & identifiers
- Preferred name
- Gibbs Reagent
- IUPAC
- 2,6-dichloro-4-chloroiminocyclohexa-2,5-dien-1-one
- English name
- 2,6-Dichloroquinone-4-chloroimide
- Molecular formula
- C6H2Cl3NO
- Molecular weight
- 210.45
Names & synonyms
2,6-Dichloroquinone-4-chloroimide101-38-2Gibbs reagent2,6-Dichloro-4-(chloroimino)cyclohexa-2,5-dienone2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-2,6-Dichloroquinone chloroimide2,6-DichloroquinonechloroimineN,2,6-Trichlorobenzoquinone imine2,6-Dichloroquinone-4-chloroimine2,6-Dichloro-4-N-chloroquinonimine2,6-Dichlorobenzoquinone chloroimidep-Benzoquinone imine, N,2,6-trichloro-
Show more names
TCBIGibb'sGIBB'S REAGENTSparsentan Impurity 4LABOTEST-BB LT001599112,5-Cyclohexadien-1-OnGibbs reagent (Standard)2,6- twochloranilchloriMideDichloroquinone-4-Chlorimide2,6-dichloro-4-chloroisoamine
n,2,6-trichloroquinoneimineNSC 6293N,2,6-Trichloro-p-benzoquinonimineAI3-52333N,2,6-Trichloro-p-benzoquinone imineEINECS 202-937-2N,2,6-Trichloro-4-benzoquinone imineBRN 2364249
Database identifiers
- CAS
101-38-2- PubChem CID
- 7556
- DTXSID
DTXSID2059229- ChEMBL
CHEMBL3276931- UNII
- Y19A13RZO0
- EC Number
- 202-937-2
- Nikkaji
- J4.016I
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Physical DescriptionYellow solid; [Merck Index] Yellow or orange crystalline powder; [Acros Organics MSDS]
Physicochemical properties
- Melting point
- 65 · 65-67 °C(lit.)
- Boiling point
- 262.3 · 262.3±50.0 °C(Predicted)
- Density
- 1.5917 · 1.5917 (rough estimate)
- bulk density
- 800 kg/m3 · 800kg/m3
- refractive index
- 1.547 · 1.5470 (estimate)
- storage temp.
- -20 °C · Inert atmosphere,Store in freezer, under -20°C
- solubility
- Chloroform (Sparingly), DMSO (Slightly)
- form
- crystalline
- pka
- -4 · -4+-.0.20(Predicted)
- color
- yellow
- Water Solubility
- Insoluble
- Merck
- 14 · 14,4421
- Stability
- Stable. Keep refrigerated.
- InChI
- 1S/C6H2Cl3NO/c7-4-1-3(10-9)2-5(8)6(4)11/h1-2H
- InChIKey
- YHUMTHWQGWPJOQ-UHFFFAOYSA-N
- SMILES
- Cl\N=C1\C=C(Cl)C(=O)C(Cl)=C1
- CAS DataBase Reference
- 101 · 101-38-2(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 19 A13RZO0 · Y19A13RZO0
- NIST Chemistry Reference
- 2 · N,2,6-trichloro-p-quinoneimine(101-38-2)
- EPA Substance Registry System
- 2 · 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)- (101-38-2)
- UNSPSC Code
- 12352115 · 12352115
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 242 · H242-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- PPE
- 3 · Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- F,Xi,Xn,E
- Risk Statements
- 5 · 5-11-36/37/38-20/22-2
- Safety Statements
- 15 · 15-26-36/37/39-33-16-36
- RIDADR
- 3224 · UN 3224 4.1
- WGK Germany
- 3 · 3
- RTECS
- 5470000 · GU5470000
- F
- 21 · 21
- TSCA
- TSCA listed
- HazardClass
- 5.1 · 5.1
- PackingGroup
- III
- HS Code
- 29251900 · 29251900
- Storage Class
- 4.1 A · 4.1A - Other explosive hazardous materials
- Hazard Classifications
- 2 Self-react · Eye Irrit. 2Self-react. CSkin Irrit. 2
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
Danger
H242 (95.2%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides]
P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 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: 2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-
2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazards SummaryOral lethal-dose (rat) > 500 mg/kg; [RTECS] Explosion hazard by shock, friction, or other source of ignition; An irritant; Harmful by ingestion and inhalation; [Acros Organics MSDS]
Hazard Classes and CategoriesSelf-react. C (95.2%)
Safety data
- F
- 21
- PPE
- Eyeshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GU5470000
- ridadr
- UN 3224 4.1
- hs_code
- 29251900
- risk_code
- 5-11-36/37/38-20/22-2
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi,Xn,E
- safety_code
- 15-26-36/37/39-33-16-36
- hazard_class
- 5.1
- Storage Class
- 4.1A - Other explosive hazardous materials
- packing_group
- III
- Hazard statements
- H242-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Self-react. CSkin Irrit. 2
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
UsesUsed as a reagent to detect phenols; [Merck Index] Universal thin-layer chromatographic visualization reagent. [ChemIDplus]
General Manufacturing Information2,5-Cyclohexadien-1-one, 2,6-dichloro-4-(chloroimino)-: INACTIVE
Applications
Uses2,6-Dichloroquinone-4-chloroimide, also known as Gibbs Reagent, is used as a reagent for the spectrophotometric determination of phenols as well as other aromatic compounds.
UsesIn determination of phenols.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海臣莱化工科技有限公司18717782967 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
北京伊诺凯科技有限公司15652467323 · [email protected]
斯百全化学（上海）有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
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南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
上海灏云化工科技有限公司021-68367562 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
成都润泽本土化工有限公司13096311329 028-88469284 616445927 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
长沙晶康新材料科技有限公司0731-85118349 18874718518 · [email protected]
桦特昇生物科技（武汉）有限公司027-59207879 1972026995 18140587686 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
TargetMol中国（陶术生物）021-021-33632979 15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海雷鸣医药科技有限公司13761371720 · [email protected]
上海萄普生物医药技术有限公司15900573766 18018507602 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
sgtlifesciences pvt ltd+91-8790379245 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
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Compound notes
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