基本情報
- 標準SMILES
CC(N)CN- InChIKey
AOHJOMMDDJHIJH-UHFFFAOYSA-N- 分子式
- C3H10N2
- 平均分子量
- 74.13 g/mol
- 単同位体質量
- 74.08439832
概要
1,2-propylenediamine appears as a colorless liquid with an ammonia-like odor. Strongly irritates skin and tissue.
名称と識別子
- 優先名称
- Propylenediamine
- IUPAC
- propane-1,2-diamine
- 現地名
- 1,2-ジアミノプロパン
- 英語名
- 1,2-Diaminopropane
- 分子式
- C3H10N2
- 分子量
- 74.12
名称と別名
名称をさらに表示
データベース識別子
- CAS
78-90-0- PubChem CID
- 6567
- DTXSID
DTXSID4021761- ChEMBL
CHEMBL1319459- ChEBI
CHEBI:30630- UNII
- 2A4P522UGO
- EC Number
- 201-155-9
- Nikkaji
- J4.225K
物性
構造計算による物性
- XLogP
- -1.2
- 極性表面積
- 52 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 1
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 20.9
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Corrosives
Density
0.8584 (NTP, 1992) - Less dense than water; will float
Relative density (water = 1): 0.9
0.9 @25 °C
Solubility
Very soluble (NTP, 1992)
Solubility in water: miscible
Flash Point
92 °F (NFPA, 2010)
33 °C c.c.
Boiling Point
248.9 °F at 760 mmHg (NTP, 1992)
119 °C
118.9 °C @760 [mm Hg]
Melting Point
-35 °F (NTP, 1992)
-12 °C
Vapor Density
2.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)
Relative vapor density (air = 1): 2.6
Vapor Pressure
9.0 [mmHg]
Vapor pressure, kPa at 20 °C: 1.2
Physical Description
1,2-propylenediamine appears as a colorless liquid with an ammonia-like odor. Strongly irritates skin and tissue.
Extremely hygroscopic liquid; [Merck Index] Colorless liquid with an ammoniacal odor; [CAMEO]
Solid
HYGROSCOPIC COLOURLESS LIQUID WITH PUNGENT ODOUR.
物理化学的性質
- 融点
- -37 °C · -37 °C
- 沸点
- 120 · 120-122 °C(lit.)
- 比重(密度)
- 0.87 g/mL · 0.87 g/mL at 25 °C(lit.)
- 蒸気密度
- 2.6 · 2.6 (vs air)
- 蒸気圧
- 14 mm · 14 mm Hg ( 20 °C)
- 屈折率
- 20 · n20/D 1.446
- 闪点
- 92 °F · 92 °F
- 貯蔵温度
- Flammables area
- 溶解性
- 2 O: · H2O: 非常に溶けやすい
- 酸解離定数(Pka)
- 9.82 · 9.82(at 25℃)
- 外見
- clear liquid
- 色
- Colorless to Almost colorless
- PH
- 12 · 12 (100g/l, H2O, 20℃)
- 爆発限界(explosive limit)
- 2.2 · 2.2-11.1%(V)
- 水溶解度
- 溶ける
- Merck
- 14 · 14,7852
- BRN
- 605274 · 605274
- Henry's Law Constant
- 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Nguyen (2013)
- Dielectric constant
- 10.2 · 10.2(Ambient)
- 安定性
- 安定。可燃性。強酸化剤、酸、酸塩化物、酸無水物とは相容れない。
- InChI
- 1S/C3H10N2/c1-3(5)2-4/h3H,2,4-5H2,1H3
- InChIKey
- AOHJOMMDDJHIJH-UHFFFAOYSA-N
- SMILES
- CC(N)CN
- LogP
- -1.2 at · -1.2 at 20℃
- 表面張力
- 33.8 mN/m · 33.8mN/m at 293.15K
- CAS データベース
- 78 · 78-90-0(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1,2-Propanediamine(78-90-0)
- EPAの化学物質情報
- 1 · 1,2-Diaminopropane (78-90-0)
化学的性質
化学的特性clear liquid
安全と法規制
GHS分類
GHS Classification
Danger
H226: Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P342+P316, P361+P364, P362+P364, P363, P370+P378, P403, P403+P235, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1,2-Propanediamine
Status: Active Update: 01-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/2163
1,2-Diaminopropane: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· Flammable/combustible material.
Flammable. Gives off irritating or toxic fumes (or gases) in a fire. Above 33 °C explosive vapour/air mixtures may be formed.
Health Hazards
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
· May cause toxic effects if inhaled or ingested.
Hazards Summary
Corrosive to skin; [Quick CPC] High inhalation exposure can cause pulmonary edema; [ICSC] Rapidly forms the hemihydrate on absorption of moisture; [Merck Index] Classifications in the EU: Causes severe burns; Harmful by ingestion and skin contact; [IUCLID]
Reactivity Profile
1,2-PROPYLENEDIAMINE neutralizes acids in exothermic reactions to form salts plus water. May be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. May generate hydrogen, a flammable gas, in combination with strong reducing agents such as hydrides.
安全と保護具
Fire Fighting
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Use water in large amounts, powder, alcohol-resistant foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.
First Aid Measures
Fresh air, rest. Half-upright position. Artificial respiration may be needed. Refer immediately for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink. Refer immediately for medical attention.
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
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.
General First Aid:
Spillage Disposal
Remove all ignition sources. Personal protection: complete protective clothing including self-contained breathing apparatus. Do NOT let this chemical enter the environment. Collect leaking liquid in sealable containers. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.
Isolation and Evacuation
Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Immediate precautionary measure
毒性情報
Signs and Symptoms
Sore throat. Cough. Burning sensation. Shortness of breath. Laboured breathing.
Pain. Redness. Skin burns.
Pain. Redness. Burns. Loss of vision.
Burning sensation. Sore throat. Abdominal pain. Nausea. Vomiting. Shock or collapse.
安全データ
- F
- 3-10-23
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- TX6650000
- ridadr
- UN 2258
- hs_code
- 29212900
- risk_code
- 10-21/22-35-42/43
- 化審法
- (2)-149
- 消防法
- 危-4-2-III
- hazard_code
- C
- safety_code
- 26-37/39-45-36/37/39-23
- hazard_class
- 8
- packing_group
- II
- 自然発火温度
- 680 °F
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3Resp. Sens. 1Skin Corr. 1ASkin Sens. 1
- ストレージクラス
- 3 - Flammable liquids
化学と産業
用途と製造
Uses
Used with cupric sulfate as reagent for mercury; [Merck Index] Used to make medicines, dyes, and rubber accelerators; Also used in electroplating and as analytical reagent; [NTP]
Electroplating [Category: Plate]
応用分野
解説CH3CH(NH2)CH2NH2.別名プロピレンジアミン.錯体の塩基性配位子としては,略記号pnが使われる.
用途有機合成原料(イミダゾール化合物)。
用途農薬合成の中間体 (ULLMANNS(E) (6TH, 2003))
説明1,2-Diaminopropane is a colorless liquid that is very hygroscopic and miscible with water and most organic solvents. It forms azeotropes with butanol, 2-methylpropanol, and toluene and has a strong ammoniacal odor.
使用1,2-Diaminopropane was used as model precursor in the electron induced deposition of amorphous carbon nitride films.
一般的な説明A colorless liquid with an ammonia-like odor. Flash point 160°F. Density 0.87 g / cm3. Boiling point 243°F. Strongly irritates skin and tissue.
調製方法
純化方法Purify the diamine by azeotropic distillation with toluene. Then distil it. Store it in a CO2 free atmosphere. [Horton et al. Anal Chem 27 269 1955, Beilstein 4 IV 1255.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
補足説明
定義ChEBI: A diamine that is propane substituted by amino groups at positions 1 and 2. Propylenediamine is commonly used as a bidentate ligand in the formation of coordination complexes.
関連反応
関連ノート
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