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| CAS No.: | 108-98-5 |
|---|---|
| Name: | Thiophenol |
| Article Data: | 381 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H6S |
| Molecular Weight: | 110.18 |
| Synonyms: | Mercaptobenzene;NSC 6953;Phenol, thio-;Phenyl mercaptan;Phenylthiol;Benzenethiol; |
| EINECS: | 203-635-3 |
| Density: | 1.079 g/cm3 |
| Melting Point: | -15 °C |
| Boiling Point: | 169.1 °C at 760 mmHg |
| Flash Point: | 50.6 °C |
| Solubility: | insoluble in water |
| Appearance: | clear liquid with a repulsive odor |
| Hazard Symbols: |
 T T+
|
| Risk Codes: | 10-24/25-26-41-36/37/38 |
| Safety: | Poison by ingestion, inhalation, skin contact, and intraperitoneal routes. A severe eye irritant. Can cause severe dermatitis. Exposure may cause headache and dizziness. When heated to decomposition or on contact with acids it emits toxic fumes of SOx. |
| Transport Information: | UN 2337 |
| PSA: | 38.80000 |
| LogP: | 1.97530 |
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This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.
Chemistry
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IUPAC Name: Benzenethiol
Canonical SMILES: C1=CC=C(C=C1)S
InChI: InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H
InChIKey: RMVRSNDYEFQCLF-UHFFFAOYSA-N
Molecular Weight: 110.17684 [g/mol]
Molecular Formula: C6H6S
XLogP3: 2.5
EINECS: 203-635-3
Product Categories: Intermediates; Phenol & Thiophenol & Mercaptan; thiol Flavor
Stability: Stable. Flammable. May form explosive mixtures with air. Stench. Incompatible with strong oxidizing agents.
storage temp.: Store at RT.
Water Solubility: insoluble
Sensitive: Stench
Appearance: clear liquid with a repulsive odor
Melting Point: -15 °C
Index of Refraction: 1.589
Molar Refractivity: 34.42 cm3
Molar Volume: 102 cm3
Surface Tension: 39.4 dyne/cm
Density: 1.079 g/cm3
Flash Point: 50.6 °C
Enthalpy of Vaporization: 39.93 kJ/mol
Boiling Point: 169.1 °C at 760 mmHg
Vapour Pressure: 2.07 mmHg at 25 °C
Classification Code of Thiophenol (CAS NO.108-98-5): Anthelmintics; Anti-Infective Agents; Antinematodal agents; Antiparasitic Agents; Reproductive Effect; Skin / Eye Irritant
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| bird - wild | LD50 | oral | 24mg/kg (24mg/kg) | Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. | |
| mouse | LC50 | inhalation | 28ppm/4H (28ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 267mg/kg (267mg/kg) | BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | National Technical Information Service. Vol. OTS0557376, |
| rabbit | LD50 | skin | 134mg/kg (134mg/kg) | BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: CYANOSIS | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LC50 | inhalation | 33ppm/4H (33ppm) | LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LD50 | intraperitoneal | 9800ug/kg (9.8mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LD50 | oral | 46200ug/kg (46.2mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
| rat | LD50 | skin | 300mg/kg (300mg/kg) | BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE | American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. |
Safety Profile
Poison by ingestion, inhalation, skin contact, and intraperitoneal routes. A severe eye irritant. Can cause severe dermatitis. Exposure may cause headache and dizziness. When heated to decomposition or on contact with acids it emits toxic fumes of SOx.
Hazard Codes:
T
T+
Risk Statements: 10-24/25-26-41-36/37/38
R10:Flammable.
R24:Toxic in contact with skin.
R25 :Toxic if swallowed.
R26:Very toxic by inhalation.
R41:Risk of serious damage to the eyes.
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 23-26-28-36/37/39-45-28A-16
S22:Do not breathe dust.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S16:Keep away from sources of ignition.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2337 6.1/PG 1
WGK Germany: 3
RTECS: DC0525000
Hazard Note: Toxic/Stench
HazardClass: 6.1
PackingGroup: I
Specification
Thiophenol (CAS NO.108-98-5), its Synonyms are Benzene, mercapto- ; Benzenethiol ; Mercaptobenzene ; Phenol, thio- ; Phenyl mercaptan ; Phenylmercaptan ; Phenylthiol ; Thiofenol .