基本情報
- CAS
1187-42-4- 標準SMILES
N#C/C(N)=C(/N)C#N- InChIKey
DPZSNGJNFHWQDC-ARJAWSKDSA-N- 分子式
- C4H4N4
- 平均分子量
- 108.1 g/mol
- 単同位体質量
- 108.04359613
概要
Diaminomaleonitrile is a brown powder. (NTP, 1992)
名称と識別子
- 優先名称
- Diaminomaleonitrile
- IUPAC
- (Z)-2,3-diaminobut-2-enedinitrile
- 現地名
- ジアミノマレオニトリル
- 英語名
- Diaminomaleonitrile
- 分子式
- C4H4N4
- 分子量
- 108.1
名称と別名
名称をさらに表示
データベース識別子
- CAS
1187-42-4、18514-52-8- PubChem CID
- 2723951
- DTXSID
DTXSID0024923- ChEMBL
CHEMBL1701646- UNII
- E8C63N8TWR
- EC Number
- 214-697-6
- Nikkaji
- J38.151I
物性
構造計算による物性
- XLogP
- -1
- 極性表面積
- 99.6 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 4
- 回転可能結合数
- 0
- 重原子数
- 8
- 形式電荷
- 0
- 複雑度
- 183
実験および物理化学的性質
物理化学的性質
- 融点
- 178 · 178-179 °C (lit.)
- 沸点
- 192.71 °C · 192.71°C (rough estimate)
- 比重(密度)
- 1 · 1,36 g/cm3
- 屈折率
- 1.626 · 1.6260 (estimate)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 溶解性
- 5000 mg/l · 5000mg/l
- 酸解離定数(Pka)
- -2.77 · -2.77±0.70(Predicted)
- 外見
- 結晶性粉末
- 色
- 茶色
- 水溶解度
- 5 g/L · 5g/L(25℃)
- BRN
- 878333 · 878333
- InChI
- 1S/C4H4N4/c5-1-3(7)4(8)2-6/h7-8H2/b4-3-
- InChIKey
- DPZSNGJNFHWQDC-ARJAWSKDSA-N
- SMILES
- N\C(C#N)=C(/N)C#N
- CAS データベース
- 1187 · 1187-42-4(CAS DataBase Reference)
- EPAの化学物質情報
- Diaminomaleonitrile (1187-42-4)
化学的性質
化学的特性brown crystalline powder
安全と法規制
GHS分類
GHS Classification
Danger
H301 (27.6%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
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: Should a spill occur while you are handling this chemical, you should dampen the solid spill material with alcohol, then transfer the dampened material to a suitable container. Use absorbent paper dampened with alcohol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminate 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 a combination filter cartridge, i.e. organic vapor/acid gas/HEPA (specific for organic vapors, HCl, acid gas, SO2 and a high efficiency particulate filter). (NTP, 1992)
安全データ
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3439 6.1/PG 3
- hs_code
- 29269095
- risk_code
- 20/21/22-25
- 化審法
- (2)-1525
- hazard_code
- Xn,T
- safety_code
- 36-24/25
- hazard_class
- 6.1
- packing_group
- III
- 毒劇物取締法
- 劇物
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral
- ストレージクラス
- 11 - Combustible Solids
化学と産業
用途と製造
応用分野
用途有機合成原料。
一般的な説明Brown powder.
調製方法
製造方法Diaminomaleonitrile is obtained by tetramerization of hydrocyanic acid in the presence of catalysts such as alkylaluminum compounds.
上流・下流製品情報
上流原料
下流製品
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関連反応
化合物ノート
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