uspto-grants-1995_06 · 10.6084/m9.figshare.5104873.v1 · US05424280
查看IDENTITY
结构与身份
- 标准SMILES
- Cc1ccc(S(=O)(=O)N(C)N=O)cc1
- InChIKey
- FFKZOUIEAHOBHW-UHFFFAOYSA-N
- 分子式
- C8H10N2O3S
- 平均分子量
- 214.24 g/mol
- 单同位素质量
- 214.04121336
COMPUTED
结构计算性质
- XLogP
- 0.6
- 极性表面积
- 75.2 Ų
- 氢键供体
- 0
- 氢键受体
- 5
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 288
PROPERTIES
实验与物化性质
Color/Form
YELLOW CRYSTALS FROM BENZENE + PETROLEUM ETHER
Solubility
INSOL IN WATER; SOL IN ETHER, PETROLEUM ETHER, BENZENE
SOL IN CHLOROFORM, CARBON TETRACHLORIDE
VERY SOL IN HOT ALC
SOL IN MOST ORGANIC SOLVENTS
Melting Point
62 °C
Vapor Pressure
0.00000479 [mmHg]
Physical Description
Yellow solid; [Merck Index] Fine light yellow crystals; [MSDSonline]
Stability/Shelf Life
STABLE IN ORDINARY BROWN BOTTLE FOR SEVERAL YR; WHITE COATING (FORMED OF P-TOLYLSULFONYLMETHYLAMIDE) DOES NO HARM
Other Experimental Properties
YIELDS DIAZOMETHANE ON TREATMENT WITH ALKALI
GHS
GHS分类
GHS Classification
Danger
H242 (90.9%): Heating may cause a fire [Danger Self-reactive substances and mixtures; Organic peroxides];H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation];H317 (88.6%): May cause an allergic skin reaction [Warning Sensitization, Skin];H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (88.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P210, P234, P235, P240, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, P410, P411, P420, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 44 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
HAZARDS
危害信息
Regulatory Information
Benzenesulfonamide, N,4-dimethyl-N-nitroso-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A mutagen and tumorigen; [RTECS] May explode from shock or friction; May polymerize; An irritant; May cause skin sensitization; [MSDSonline]
Hazard Classes and Categories
Self-react. C (90.9%);Skin Irrit. 2 (97.7%);Skin Sens. 1 (88.6%);Eye Irrit. 2 (97.7%);STOT SE 3 (88.6%)
Skin Irrit. 2 (100%);Skin Sens. 1 (100%);Eye Irrit. 2 (100%);STOT SE 3 (100%)
REGULATORY
法规信息
Regulatory Information
Benzenesulfonamide, N,4-dimethyl-N-nitroso-: Does not have an individual approval but may be used under an appropriate group standard
USES
用途与制造
Uses
Used to make diazomethane in the laboratory; [Merck Index]
IN LAB PREPN OF DIAZOMETHANE
Methods of Manufacturing
PREPD BY ACTION OF NITROUS ACID ON P-TOLYLSULFONYLMETHYLAMIDE: GERMAN PATENT 224,388 (1910 TO BAYER)...
Formulations/Preparations
DIAZALD. TRADEMARK FOR N-METHYL-N-NITROSOPARATOLUENESULFONAMIDE.
General Manufacturing Information
Benzenesulfonamide, N,4-dimethyl-N-nitroso-: ACTIVE
ALIASES
名称与别名
REACTIONS
参与反应
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