Thiourea-13C,15N2
- Iupac Name:bis(15N)(azanyl)(113C)methanethione
- CAS No.: 285977-83-5
- Molecular Weight:76.12086
- Modify Date.: 2022-11-25 06:27
- Introduction: THIOUREA-13C-15N2 99 ATOM % 13C 98+ A& is used as an animal glue liquifier, silver tarnish remover, fixing agents, manufactured resins and vulcanization accelerators. It is a known carcinogen, also causes bone marrow depression and goiters. THIOUREA-13C-15N2 99 ATOM % 13C 98+ A&Supplier
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1. Names and Identifiers
- 1.1 Name
- Thiourea-13C,15N2
- 1.2 Synonyms
[13C,15N2]-Thiourea |A-Thiopseudourea-13C,15N2 bis(azanyl)methanethione MFCD00190367 Thiocarbamide-13C,15N2 Thio-pseudourea-13C,15N2 Thiourea-13C,15N2 β-Thiopseudourea
- 1.3 CAS No.
- 285977-83-5
- 1.4 CID
- 16213485
- 1.5 Molecular Formula
- CH4N2S (isomer)
- 1.6 Inchi
- InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)/i1+1,2+1,3+1
- 1.7 InChIkey
- UMGDCJDMYOKAJW-VMIGTVKRSA-N
- 1.8 Canonical Smiles
- C(=S)(N)N
- 1.9 Isomers Smiles
- [13C](=S)([15NH2])[15NH2]
2. Properties
- 2.1 Density
- 1.326
- 2.1 Melting point
- 170-176 °C(lit.)
- 2.1 Refractive index
- 1.654
- 2.1 Precise Quality
- 79.00690
- 2.1 PSA
- 84.13000
- 2.1 logP
- 0.58930
- 2.1 StorageTemp
- Refrigerator
3. Use and Manufacturing
- 3.1 Usage
- THIOUREA-13C-15N2 99 ATOM % 13C 98+ A& is used as an animal glue liquifier, silver tarnish remover, fixing agents, manufactured resins and vulcanization accelerators. It is a known carcinogen, also causes bone marrow depression and goiters. THIOUREA-13C-15N2 99 ATOM % 13C 98+ A&Supplier
4. Safety and Handling
- 4.1 Symbol
- GHS07, GHS08, GHS09
- 4.1 Hazard Codes
- Xn;N: ;
- 4.1 Signal Word
- Warning
- 4.1 Risk Statements
- 22-40-51/53-63
- 4.1 Safety Statements
- 36/37-61
- 4.1 Hazard Declaration
- H302-H351-H361d-H411
- 4.1 RIDADR
- UN 2811 6.1/PG 3
- 4.1 Caution Statement
- P273-P281
- 4.1 WGK Germany
- 3
- 4.1 RTECS
- YU2800000
- 4.1 Safety
- Hazard Codes Xn,NRisk Statements 22-40-51/53-63Safety Statements 36/37-61RIDADR UN 2811 6.1/PG 3
WGK Germany 3
RTECS YU2800000
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Acute toxicity - Oral, Category 4
Carcinogenicity, Category 2
Reproductive toxicity, Category 2
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Warning |
Hazard statement(s) | H302 Harmful if swallowed H351 Suspected of causing cancer H361 Suspected of damaging fertility or the unborn child H411 Toxic to aquatic life with long lasting effects |
Precautionary statement(s) | |
Prevention | P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P201 Obtain special instructions before use. P202 Do not handle until all safety precautions have been read and understood. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
Response | P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/…if you feel unwell. P330 Rinse mouth. P308+P313 IF exposed or concerned: Get medical advice/ attention. P391 Collect spillage. |
Storage | P405 Store locked up. |
Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
6. Computational chemical data
- Molecular Weight: 76.12086g/mol
- Molecular Formula: CH4N2S
- Compound Is Canonicalized: True
- XLogP3-AA: -0.8
- Exact Mass: 79.00694393
- Monoisotopic Mass: 79.00694393
- Complexity: 29
- Rotatable Bond Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 84.1
- Heavy Atom Count: 4
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 3
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcYADAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAQQAAAAAAAAAAABAABAAAAEAAAAAAAAAAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
8. Realated Product Infomation