基本情報
- CAS
1467-79-4- 標準SMILES
CN(C)C#N- InChIKey
OAGOUCJGXNLJNL-UHFFFAOYSA-N- 分子式
- C3H6N2
- 平均分子量
- 70.09 g/mol
- 単同位体質量
- 70.05309819
概要
Dimethyl cyanamide is a clear liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Dimethylcyanamide
- IUPAC
- dimethylcyanamide
- 現地名
- ジメチルシアナミド
- 英語名
- Dimethylcyanamide
- 分子式
- C3H6N2
- 分子量
- 70.09
名称と別名
名称をさらに表示
データベース識別子
- CAS
1467-79-4- PubChem CID
- 15112
- DTXSID
DTXSID9025116- ChEBI
CHEBI:229338- UNII
- 6P25IPQ8GN
- EC Number
- 215-991-7
- Nikkaji
- J33.545B
物性
構造計算による物性
- XLogP
- -0.2
- 極性表面積
- 27 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 56.5
実験および物理化学的性質
Density
0.88 (NTP, 1992) - Less dense than water; will float
0.876
Solubility
Decomposes (NTP, 1992)
VERY SOL IN WATER
SOL IN ALCOHOL, ETHER & ACETONE
Flash Point
160 °F (NTP, 1992)
160 °F (71 °C) (CLOSED CUP)
Boiling Point
326.3 °F at 760 mmHg (NTP, 1992)
163.5 °C @ 760 MM HG
Melting Point
-42 °F (NTP, 1992)
-41.0 °C
Vapor Density
2.55 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
2.42 (AIR= 1)
Vapor Pressure
16.0 [mmHg]
40 MM HG @ 80 °C
物理化学的性質
- 融点
- -41 °C · -41 °C
- 沸点
- 161 · 161-163 °C(lit.)
- 比重(密度)
- 0.867 g/mL · 0.867 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.41(lit.)
- 闪点
- 137 °F · 137 °F
- 貯蔵温度
- 2 · Inert atmosphere,2-8°C
- 溶解性
- クロロホルム(少量)、ヘキサン(少量)
- 外見
- 液体
- 酸解離定数(Pka)
- -4.76 · -4.76±0.70(Predicted)
- 色
- 無色透明~黄色
- Dielectric constant
- 37.23 · 37.229999999999997
- EPAの化学物質情報
- Dimethylcyanamide (1467-79-4)
化学的性質
化学的特性CLEAR COLORLESS TO YELLOWISH LIQUID
安全と法規制
GHS分類
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P301+P316, P304+P340, P316, P321, P330, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H227: Combustible liquid [Warning Flammable liquids]
危険有害性情報
Reactivity Profile
Nitriles, such as DIMETHYL CYANAMIDE, may polymerize in the presence of metals and some metal compounds. They are incompatible with acids; mixing nitriles with strong oxidizing acids can lead to extremely violent reactions. Nitriles are generally incompatible with other oxidizing agents such as peroxides and epoxides. The combination of bases and nitriles can produce hydrogen cyanide. Nitriles are hydrolyzed in both aqueous acid and base to give carboxylic acids (or salts of carboxylic acids). These reactions generate heat. Peroxides convert nitriles to amides. Nitriles can react vigorously with reducing agents. Acetonitrile and propionitrile are soluble in water, but nitriles higher than propionitrile have low aqueous solubility. They are also insoluble in aqueous acids. This compound reacts with oxidizers, water, or steam. (NTP, 1992)
NFPA Hazard Classification
4 - Materials that, under emergency conditions, can be lethal.
2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air.
1 - Materials that in themselves are normally stable but that can become unstable at elevated temperatures and pressures.
Hazard Classes and Categories
Acute Tox. 3 (100%)
Flammable liquids - Category 4
安全と保護具
First Aid
EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.
Nonfire Spill Response
SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
Personal Protective Equipment (PPE)
RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)
毒性情報
Human Toxicity Excerpts
CMPD APPEARS TO BE HAZARDOUS, ESP BY SKIN ABSORPTION
The neurotoxic effects of dimethyl cyanamide are weakness and ataxia. /From table/
Non-Human Toxicity Excerpts
... ORAL ... IN RATS & GUINEA PIGS ... SYMPTOMS WERE WEAKNESS, ATAXIA, GASPING RESPIRATIONS, & UNCONSCIOUSNESS. IT WAS READILY ABSORBED THROUGH GUINEA PIG SKIN ... WITH LITTLE SKIN IRRITATION. IT WAS NOT SEVERE EYE IRRITANT TO RABBIT. NO SKIN SENSITIZATION WAS PRODUCED IN GUINEA PIG.
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- GS6475000
- ridadr
- UN 2810 6.1/PG 3
- hs_code
- 29269095
- risk_code
- 23/25
- 消防法
- 危-4-3-III
- hazard_code
- T,F
- safety_code
- 36/37/39-45
- hazard_class
- 3.2
- packing_group
- III
- 毒劇物取締法
- III
- 有毒物質データの
- 1467-79-4(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used as chemical intermediate and solvent; [Hawley]
CHEMICAL INTERMEDIATE; SOLVENT
応用分野
用途化学中間体、溶媒
使用Dimethylcyanamide in the presence of tetrachlorosilane and zinc chloride is used as a promoter for one-pot, three component synthesis of a novel series of 1,3-oxazines. Being a dialkylcyanamide, it has been proved to be a more reactive substrate toward metal-mediated nucleophilic addition than alkylcyanides.
一般的な説明Clear liquid.
調製方法
Dimethyl cyanamide is made by the reaction of nitromethane with tris(dimethylamino) arsine.
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