Basic information
- CAS
2380-86-1- Standard SMILES
Oc1ccc2cc[nH]c2c1- InChIKey
XAWPKHNOFIWWNZ-UHFFFAOYSA-N- Molecular formula
- C8H7NO
- Average molar mass
- 133.15 g/mol
- Monoisotopic mass
- 133.05276384
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Hydroxyindole
- IUPAC
- 1H-indol-6-ol
- English name
- 6-Hydroxyindole
- Molecular formula
- C8H7NO
- Molecular weight
- 133.15
Names & synonyms
6-Hydroxyindole2380-86-11H-indol-6-olIMEXINE OBA3I03JZ599TDTXSID20178497RefChem:104788DTXCID50100988417-020-46-indololMFCD00152101indol-6-ol
Show more names
6(1H)-indolol6-Hydroyindole6-HydroxyindoL6-carboxylindoline6-Hydroxyindole,97%6-Hydroxy-1H-indole
CHEMBL24138226-hydroxy indoleIndol-6-ol (6CI,7CI,8CI)indolol6hydroxyindoleUNII-3I03JZ599T6-hydroxy-indole1H-indole-6-ol
Database identifiers
- CAS
2380-86-1- PubChem CID
- 524508
- DTXSID
DTXSID20178497- ChEMBL
CHEMBL2413822- UNII
- 3I03JZ599T
- EC Number
- 417-020-4、626-440-9
- Nikkaji
- J467.722F
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 36 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 126
Experimental & physicochemical properties
Cosmetics
Cosmetic ingredients (6-Hydroxyindole) -> CIR (Cosmetic Ingredient Review)
Hair dyeing
Physicochemical properties
- Melting point
- 125 · 125-128 °C
- Boiling point
- 343.2 · 343.2±15.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly, Heated), Methanol (Slightly)
- pka
- 10.07 · 10.07±0.40(Predicted)
- form
- Shiny Crystalline Powder
- color
- White to off-white
- Cosmetics Ingredients Functions
- HAIR DYEING
- Cosmetic Ingredient Review (CIR)
- 6 · 6-Hydroxyindole (2380-86-1)
- InChI
- InChI=1S/C8H7NO/c10-7-2-1-6-3-4-9-8(6)5-7/h1-5,9-10H
- InChIKey
- XAWPKHNOFIWWNZ-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC(O)=C2)C=C1
- CAS DataBase Reference
- 2380 · 2380-86-1(CAS DataBase Reference)
- EWG's Food Scores
- 2 · 2-5
- FDA UNII
- 3 I03JZ599T · 3I03JZ599T
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07,GHS09
- Signal word
- Danger
- Hazard statements
- 302 · H302-H317-H318-H411
- Precautionary statements
- 273 · P273-P280-P305+P351+P338
- Hazard Codes
- Xi,N,Xn
- Risk Statements
- 36 · 36/37/38-51/53-43-41-22
- Safety Statements
- 37 · 37/39-26-61-24-2
- RIDADR
- 3077 · UN 3077
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- IRRITANT, KEEP COLD
- PackingGroup
- Ⅲ
- HS Code
- 29339900 · 29339900
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralAquatic · Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Sens. 1
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
Danger
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Danger
H302 (95.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Hazard information
Regulatory InformationStatus: Active Update: 19-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33474
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (95.3%)
Acute toxicity - category 4
Acute Tox. 4 *
Toxicology
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Safety data
- wgk
- 3
- ridadr
- UN 3077
- hs_code
- 29339900
- risk_code
- 36/37/38-51/53-43-41-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07,GHS09
- hazard_code
- Xi,N,Xn
- hazard_note
- Irritant
- safety_code
- 37/39-26-61-24-2
- hazard_class
- 9
- Storage Class
- 11 - Combustible Solids
- packing_group
- Ⅲ
- Hazard statements
- H302-H317-H318-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 2Eye Dam. 1Skin Sens. 1
- Precautionary statements
- P273-P280-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites6-Hydroxyindole is a known human metabolite of indole.
Uses & manufacturing
UsesCIR ingredient: 6-Hydroxyindole
Household ProductsInformation on 14 consumer products that contain 6-hydroxyindole in the following categories is provided:
Use ClassificationCosmetics -> Hair dyeing
Applications
UsesReactant for preparation of tryptophan dioxygenase inhibitors pyridyl-ethenyl-indoles as potential anticancer immunomodulatorsReactant for asymmetrical synthesis of notoamide J as a potential biosynthetic precursor of prenylated indole alkaloidsReactant for preparation of (quinolinyloxymethyl)isoxazolecarboxylate esters antituberculosis agentsReactant for preparation of indolyl(propanolamine) derivatives as HIV inhibitorsReactant for preparation of indoleoxyacetic acid derivatives as peroxisome proliferator-activated receptor agonistsReactant for preparation of 1-aroylindole 3-aroylindoles combretastatin A-4 analogs as antitumor agents and tubulin polymerization inhibitors
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
烟台凯博医药科技有限公司0535-6385396 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
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武汉泰易成生化药业有限公司027-88320699 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
杭州东帆化学有限公司86-0571-85151182
立合生物（山东）有限公司13176691201 15588824841 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
武汉海正工贸发展有限公司027-8866 0053/88660577/88660578
安徽实特医药科技有限公司086-21-50829787 13621628489 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
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]
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北京伊诺凯科技有限公司400-810-7969 010-59572699 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
丹阳瑞辉化工有限公司0511-86883198 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
越林试剂021-62960152 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
北京白泽瑞成医药科技有限公司17813701174 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
凯方医药科技（上海）有限公司021-67220633 021-54824098 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Related reactions
62 records
Compound notes
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