Basic information
- CAS
4112-03-2- Standard SMILES
CS(=O)(=O)NO- InChIKey
YKSVNSKYIUPAKW-UHFFFAOYSA-N- Molecular formula
- CH5NO3S
- Average molar mass
- 111.12 g/mol
- Monoisotopic mass
- 110.9990142
Names & identifiers
- Preferred name
- Methylsulphamic acid
- IUPAC
- N-hydroxymethanesulfonamide
- English name
- Methylsulfamic acid
- Molecular formula
- CH5NO3S
- Molecular weight
- 111.12
Names & synonyms
n-hydroxymethanesulfonamideMethylsulphamic acid50695-55-1EINECS 223-895-1NSC 54922RefChem:818705223-895-1895-091-4Methanesulfonamide, N-hydroxy-CHEMBL98328MFCD16300682n-methylsulfamic acid
Show more names
METHYLSULAMIC ACIDMethylsulfamic acidMethylsulfamicAcid>N-methylsulfamic acidSulfamic acid, methyl-Methylsulfamic acid 98%Methylsulfamic acid,98%Methylamidosulfuric acidSulfamic acid, N-methyl-
Hydroxysulfonamide 467RNL3ALW66SCHEMBL8229531BDBM11365AKOS015947890EBC-613089NS-01009G49569
Database identifiers
- CAS
4112-03-2、50695-55-1- PubChem CID
- 77754
- ChEMBL
CHEMBL98328- UNII
- 7RNL3ALW66
- EC Number
- 895-091-4
- Nikkaji
- J399.279I
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 107
Physicochemical properties
- Melting point
- 191 °C · 191 °C (dec.) (lit.)
- Density
- 1.339 · 1.339 (estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Inert atmosphere,Room Temperature
- pka
- -8.47 · -8.47±0.27(Predicted)
- form
- Crystals or Crystalline Powder
- color
- White
- InChI
- 1S/CH5NO3S/c1-2-6(3,4)5/h2H,1H3,(H,3,4,5)
- InChIKey
- MYMDOKBFMTVEGE-UHFFFAOYSA-N
- SMILES
- CNS(O)(=O)=O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
- PPE
- 3 · Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-27-28-36/37/39-45
- RIDADR
- 3261 · UN 3261 8/PG 2
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- PackingGroup
- III
- HS Code
- 29299090 · 29299090
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 3261 8/PG 2
- hs_code
- 29299090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-27-28-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363
Chemistry & industry
Applications
UsesMethylsulfamic acid has been used in the preparation of nitroaroyl- or nitroarylsulphonyl-sulphamic acids via condensation reaction with certain nitroaroyl and nitroarylsulphonyl chlorides.
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖南韵邦生物科技股份有限公司0731-88532326 13319508186 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
金锦乐(湖南)化学有限公司18001959627(微信同号) 18001959627 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
山东天铭生物科技发展有限责任公司400-9019001 400-901-9001
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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No reaction records under the current filter.
Compound notes
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