CAS 17422-33-2 6-Chloroindole (HCID 87111)

Names & identifiers

Preferred name: 6-Chloroindole
IUPAC: 6-chloro-1H-indole
English name: 6-Chloroindole
Molecular formula: C8H6ClN
Molecular weight: 151.59

Names & synonyms

6-Chloroindole6-Chloro-1H-indole17422-33-2NSC-58083M4E7MR63DADTXSID70169794RefChem:104438DTXCID6092285241-449-41H-Indole, 6-chloro-MFCD00005681CHEMBL511085

Show more names

NSC 580836-Chloroindole >TIMTEC-BB SBB0040596-Chloroindole, 97+%1H-Indole,6-chloro-(9CI)6-chloroindole 17422-32-26-Chloroindole in stock Factory

6-chloro indole6-chloro-indoleNSC58083EINECS 241-449-46-chlor-1H-indoleIndole, 6-chloro-6-chloro-1-H-indole6-Chloroindole, 99%

Database identifiers

CAS: 17422-33-2
PubChem CID: 87111
DTXSID: DTXSID70169794
ChEMBL: CHEMBL511085
ChEBI: CHEBI:80918
UNII: M4E7MR63DA
EC Number: 241-449-4
Nikkaji: J236.659B

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 15.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 0
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 126

Physicochemical properties

Melting point: 87 · 87-90 °C (lit.)
Boiling point: 248.91 °C · 248.91°C (rough estimate)
Density: 1.1976 · 1.1976 (rough estimate)
refractive index: 1.5437 · 1.5437 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
solubility: slightly soluble
form: Crystalline Powder
pka: 16.1 · 16.10±0.30(Predicted)
color: Beige
Water Solubility: slightly soluble
BRN: 112345 · 112345
Stability: Store in Refrigerator
InChI: InChI=1S/C8H6ClN/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5,10H
InChIKey: YTYIMDRWPTUAHP-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(Cl)=C2)C=C1
CAS DataBase Reference: 17422 · 17422-33-2(CAS DataBase Reference)
FDA UNII: 4 E7MR63DA · M4E7MR63DA
NIST Chemistry Reference: 6 · 6-Chloroindole(17422-33-2)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
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
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 22 · 22-24/25-37/39-26-36
WGK Germany: 3 · 3
Hazard Note: Irritant
TSCA: A
HS Code: 29339990 · 29339990

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (10%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (10%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (10%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (90%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 10 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (10%)；Acute Tox. 4 (10%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (10%)；STOT SE 3 (90%)

Safety data

wgk: 3
tsca: A
hs_code: 29339990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25-37/39-26-36
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P305+P351+P338-P405-P501a