CAS 24966-39-0 Benzenethiol, 2,6-dichloro- (HCID 90671)

Names & identifiers

Preferred name: Benzenethiol, 2,6-dichloro-
IUPAC: 2,6-dichlorobenzenethiol
English name: 2,6-DICHLOROTHIOPHENOL
Molecular formula: C6H4Cl2S
Molecular weight: 179.07

Names & synonyms

2,6-Dichlorobenzenethiol2,6-DichlorothiophenolBenzenethiol, 2,6-dichloro-DTXSID60179680RefChem:565084DTXCID20102171416-720-724966-39-02,6-dichlorobenzene-1-thiol2,6-Dichloro thiophenolMFCD000048332,6-dichloro-benzenethiol

Show more names

2,6-DICHLOROTHIOPHEN2,6-Dichlorothiophenol98%2,6 - Dichloro Thiophenole2,6-Dichlorothiophenol 98%2,6-dichlorobenzenethiolate2,6-Dichlorophenyl mercaptan2,6-Dichlorobenzenethiol,97%

SCHEMBL190658AKOS000121486s10969F0001-0842Z56347203AMY256242,6-dichlorobenzene-1-thi4-Thiazolecarboxylic acid, 5-ethyl-, ethyl ester

Database identifiers

CAS: 24966-39-0
PubChem CID: 90671
DTXSID: DTXSID60179680
EC Number: 416-720-7、670-334-5
Nikkaji: J208.436H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 87

Physicochemical properties

Melting point: 48 · 48-50 °C(lit.)
Boiling point: 119 · 119-120 °C (10 mmHg)
Density: 1.3905 · 1.3905 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 30 °C · Store below +30°C.
form: solid
pka: 5.17 · 5.17±0.50(Predicted)
Appearance: White to off-white Solid
Sensitive: Stench
BRN: 2082400 · 2082400
InChI: InChI=1S/C6H4Cl2S/c7-4-2-1-3-5(8)6(4)9/h1-3,9H
InChIKey: JBISHCXLCGVPGW-UHFFFAOYSA-N
SMILES: C1(S)=C(Cl)C=CC=C1Cl
CAS DataBase Reference: 24966 · 24966-39-0(CAS DataBase Reference)
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-P280g-P305+P351+P338
Hazard Codes: Xn,Xi
Risk Statements: 20 · 20/21/22-36/37/38
Safety Statements: 26 · 26-37/39-36
RIDADR: 2811 · UN 2811 6.1/PG 3
WGK Germany: 3 · 3
Hazard Note: Harmful/Stench
PackingGroup: III
HS Code: 29309090 · 29309090
Toxicity: 50 orally · LD50 orally in Rabbit: 2400 mg/kg
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (14.3%): 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 (14.3%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): 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 7 reports by companies from 4 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

Regulatory Information · 2 items

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625

2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 items

Acute Tox. 4 (25%)；Acute Tox. 4 (25%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；Acute Tox. 4 (25%)；STOT SE 3 (75%)

Acute Tox. 4 (14.3%)；Acute Tox. 4 (14.3%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；Acute Tox. 4 (14.3%)；STOT SE 3 (100%)

Regulatory information

Regulatory Information · 2 items

Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3625

2,6-Dichlorothiophenol: Does not have an individual approval but may be used under an appropriate group standard

Safety data

wgk: 3
ridadr: UN 2811 6.1/PG 3
hs_code: 29309090
Toxicity: LD50 orally in Rabbit: 2400 mg/kg
risk_code: 20/21/22-36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn,Xi
hazard_note: Harmful/Stench
safety_code: 26-37/39-36
packing_group: III
Hazard statements: H335-H315-H319
REACH Registrations: Inactive
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P280g-P305+P351+P338