6H-Purin-6-one,2-amino-1,7-dihydro-7-[2-[(2-hydroxyethyl)thio]ethyl]-
- Iupac Name:2-(phosphonomethylamino)acetic acid
- CAS No.: 1071-83-6
- Molecular Weight:169.073081
- Modify Date.: 2022-03-09 15:03
1. Names and Identifiers
- 1.1 Name
- 6H-Purin-6-one,2-amino-1,7-dihydro-7-[2-[(2-hydroxyethyl)thio]ethyl]-
- 1.2 Synonyms
2-Amino-1,7-dihydro-7-(2-((2-hydroxyethyl)thio)ethyl)-6H-purin-6-one 2-Amino-1,7-dihydro-7-[2-[(2-hydroxyethyl)thio]ethyl]-6H-purin-6-one 2-Amino-7-(2-((2-hydroxyethyl)thio)ethyl)-1H-purin-6(7H)-one 2-Amino-7-[2-(2-hydroxyethylsulfanyl)ethyl]-3H-purin-6-one 6H-Purin-6-one, 2-amino-1,7-dihydro-7-(2-((2-hydroxyethyl)thio)ethyl)- 6H-Purin-6-one, 2-amino-1,7-dihydro-7-[2-[(2-hydroxyethyl)thio]ethyl]- 7-[2-(2-Hydroxyethylthio)ethyl]guanine CTK5B0262 DTXSID40208341 Guanine, 7-[2-[(2-hydroxyethyl)thio]ethyl]- Guanine,7-[2-[(2-hydroxyethyl)thio]ethyl]- (6CI,7CI,8CI) N7-(2-((2-Hydroxyethyl)thio)ethyl)guanine N7-(2-((Hydroxyethyl)thio)ethyl)guanine N7-(2-Hydroxyethylthioethyl)guanine n7-(2-hydroxyethylthioethyl)-guanine N7-Hete-gua
- 1.3 CAS No.
- 1071-83-6
- 1.4 CID
- 3496
- 1.5 EINECS(EC#)
- 218-907-7
- 1.6 Molecular Formula
- C13H8BrNO (isomer)
- 1.7 Inchi
- InChI=1S/C3H8NO5P/c5-3(6)1-4-2-10(7,8)9/h4H,1-2H2,(H,5,6)(H2,7,8,9)
- 1.8 InChkey
- XDDAORKBJWWYJS-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- C(C(=O)O)NCP(=O)(O)O
- 1.10 Isomers Smiles
- C(C(=O)O)NCP(=O)(O)O
2. Properties
- 3.1 Density
- 1.442
- 3.1 Melting point
- 230℃
- 3.1 Boiling point
- 450.1 ℃ at 760 mmHg
- 3.1 Refractive index
- 1.576
- 3.1 Vapour pressure
- 1.94e-07 mm Hg at 113 ° F (NTP, 1992)
- 3.1 Precise Quality
- 169.01400
- 3.1 PSA
- 116.67000
- 3.1 logP
- -0.81330
3. Safety and Handling
- 4.1 Symbol
- GHS05, GHS09
- 4.1 Signal Word
- Danger
- 4.1 Risk Statements
- R41;R51/53
- 4.1 Safety Statements
- S2;S26;S39;S61
- 4.1 Hazard Declaration
- H318-H411
- 4.1 RIDADR
- UN 3077 9/PG 3
- 4.1 Caution Statement
- P273-P280-P305 + P351 + P338 + P310-P391-P501
- 4.1 WGK Germany
- 2
- 4.1 RTECS
- MC1075000
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Serious eye damage, Category 1
Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2
2.2 GHS label elements, including precautionary statements
Pictogram(s) | |
Signal word | Danger |
Hazard statement(s) | H318 Causes serious eye damage H411 Toxic to aquatic life with long lasting effects |
Precautionary statement(s) | |
Prevention | P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment. |
Response | P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P310 Immediately call a POISON CENTER/doctor/\u2026 P391 Collect spillage. |
Storage | none |
Disposal | P501 Dispose of contents/container to ... |
2.3 Other hazards which do not result in classification
none
5. Computational chemical data
- Molecular Weight: 169.073081g/mol
- Molecular Formula: C13H8BrNO
- Compound Is Canonicalized: True
- XLogP3-AA: -4.6
- Exact Mass: 169.01400935
- Monoisotopic Mass: 169.01400935
- Complexity: 162
- Rotatable Bond Count: 4
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 107
- Heavy Atom Count: 10
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccBCOAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHggQCCAAAADBgAQACALAAhAIQACQCIAAAAAAAAAAAICIAAACAAAAACAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
6. Question & Answer
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The effects on humans and animals of agent orange are extremly toxic, can lead to irrevesible damage and slow death, glyphosate is not healthy to inhale, but by far not as toxic. The USA used Agent orange to kill many women and children, which died in slow agonycing death. At least three million vi...
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Why would you ever wish to mix anything with that toxic, carcinogenic material? Avoid it at all costs.
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I think pollinators will go on pollinating. It’s a huge number of species in that category and not all are suffering. There is much more being done to understand populations of insects and their interactions with farmland and this will lead to better management. But you have to look at the big pic...
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Yes it is — absolutely. Do some research on the class actions taken against Bayer, the company that bought Monsanto. Not only is it a carcinogen, it also kills your gut biome and causes all sorts of chronic illnesses that originate in the gut. I react strongly if I eat non-organically grown grains...
8. Realated Product Infomation
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