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4947-89-1

4947-89-1 structure
4947-89-1 structure

Name 3-chlorophenylthiourea
Synonyms 1-(3-CHLOROPHENYL)-2-THIOUREA
1-(3-Chlorophenyl)thiourea
(3-chlorophenyl)thiourea
MFCD00022165
N-(3-Chlorophenyl)thiourea
3-Chlorophenylthiourea
Density 1.441g/cm3
Boiling Point 296.7ºC at 760mmHg
Melting Point 137-138 °C
Molecular Formula C7H7ClN2S
Molecular Weight 186.66200
Flash Point 133.2ºC
Exact Mass 186.00200
PSA 70.14000
LogP 2.76880
Index of Refraction 1.727
Storage condition Poison room
Name: 1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:
CAS: 4947-89-1
Section 1 - Chemical Product MSDS Name:1-(3-Chlorophenyl)-2-thiourea Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
4947-89-1 1-(3-Chlorophenyl)-2-thiourea unlisted
Hazard Symbols: T+
Risk Phrases: 28 36/37/38

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Very toxic if swallowed. Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May be fatal if swallowed. May cause irritation of the digestive tract.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid immediately. Wash mouth out with water.
Inhalation:
Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen.
Notes to Physician:

Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container.

Section 7 - HANDLING and STORAGE
Handling:
Do not breathe dust, vapor, mist, or gas. Do not get in eyes, on skin, or on clothing. Use only in a chemical fume hood.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Poison room locked.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 4947-89-1: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: cream
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 137 - 138 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Insoluble.
Specific Gravity/Density:
Molecular Formula: C7H7ClN2S
Molecular Weight: 186.67

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 4947-89-1: YS7000000 LD50/LC50:
CAS# 4947-89-1: Oral, rat: LD50 = 25 mg/kg.
Carcinogenicity:
1-(3-Chlorophenyl)-2-thiourea - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

Section 12 - ECOLOGICAL INFORMATION


Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION

IATA
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: II
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: II

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: T+
Risk Phrases:
R 28 Very toxic if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 22 Do not breathe dust.
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 4947-89-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 4947-89-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 4947-89-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

CHEMICAL IDENTIFICATION

RTECS NUMBER :
YS7000000
CHEMICAL NAME :
Urea, 1-(m-chlorophenyl)-2-thio-
CAS REGISTRY NUMBER :
4947-89-1
BEILSTEIN REFERENCE NO. :
2090370
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C7-H7-Cl-N2-S
MOLECULAR WEIGHT :
186.67
WISWESSER LINE NOTATION :
SUYZMR CG

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
25 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 90,260,1947
Hazard Codes T+: Very toxic;T: Toxic;
Risk Phrases R28
Safety Phrases S45-S36/37/39-S28A-S22
RIDADR 2811
RTECS YS7000000
Packaging Group II
Hazard Class 6.1
HS Code 2930909090

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Literature: GLAXOSMITHKLINE LLC; CHEUNG, Mui; TANGIRALA, Raghuram, S. Patent: WO2014/74761 A2, 2014 ; Location in patent: Page/Page column 58 ;

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Literature: THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY; AUCKLAND UNISERVICES LIMITED Patent: WO2009/114552 A1, 2009 ; Location in patent: Page/Page column 86-87 ;

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Literature: Rasmussen, C. R.; Villani, F. J.; Weaner, L. E.; Reynolds, B. E.; Hood, A. R.; et al. Synthesis, 1988 , # 6 p. 456 - 459

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4947-89-1

Literature: Karle, Michael; Knecht, Wolfgang; Xue, Yafeng Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 14 p. 4839 - 4843

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Literature: Yella, Ramesh; Kavala, Veerababurao; Patel, Bhisma K. Synthetic Communications, 2011 , vol. 41, # 6 p. 792 - 805

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Literature: Shearer, Barry G.; Lee, Shuliang; Oplinger, Jeffrey A.; Frick, Lloyd W.; Garvey, Edward P.; Furfine, Eric S. Journal of Medicinal Chemistry, 1997 , vol. 40, # 12 p. 1901 - 1905

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Literature: Uberhande; Thakare; Berad Journal of the Indian Chemical Society, 2010 , vol. 87, # 9 p. 1137 - 1141

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4947-89-1

Literature: Fernandes; Ganapathi Proceedings - Indian Academy of Sciences, Section A, 1951 , vol. 33, p. 364,365
HS Code 2930909090
Summary 2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%