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1,2-ジアミノプロパン

Propylenediamine

HCID 6567
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基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
78-90-0
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

1,2-DIAMINOPROPANEPropylenediamine78-90-01,2-Propanediamine2,3-DiaminopropaneDTXSID40217612A4P522UGODL-1,2-PropanediamineNSC-1757311-Methyl-1,2-diaminoethaneDTXCID701761CHEBI:30630
名称をさらに表示
1,2-ジアミノプロパン1,2-プロパンジアミン1,2-プロピレンジアミン１，２ジアミノプロパンプロピレンジアミン1,2‐プロパンジアミン1,2-ジアミノプロパン標準液DIAMINOPROPANEPROPANEDIAMINE12APrac 1,2-Diaminopropane-d6NSC 175731
RefChem:411509201-155-9propane-1,2-diamine1,2-PropylenediaminePropylene diamine1-methylethylenediamine10424-38-11,2 Diaminopropane

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補完中

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 · 2 件

Nitrogen Compounds -> Amines, Aliphatic

Corrosives

LogP-1.8
Density · 3 件

0.8584 (NTP, 1992) - Less dense than water; will float

Relative density (water = 1): 0.9

0.9 @25 °C

Solubility · 2 件

Very soluble (NTP, 1992)

Solubility in water: miscible

Flash Point · 2 件

92 °F (NFPA, 2010)

33 °C c.c.

Boiling Point · 3 件

248.9 °F at 760 mmHg (NTP, 1992)

119 °C

118.9 °C @760 [mm Hg]

Melting Point · 2 件

-35 °F (NTP, 1992)

-12 °C

Vapor Density · 2 件

2.6 (NTP, 1992) - Heavier than air; will sink (Relative to Air)

Relative vapor density (air = 1): 2.6

Vapor Pressure · 2 件

9.0 [mmHg]

Vapor pressure, kPa at 20 °C: 1.2

安全と法規制

安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 6 件

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 · 4 件

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.)

DOT LabelCorrosive Flammable Liquid
Fire Hazards · 3 件

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 · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

· May cause toxic effects if inhaled or ingested.

Hazards Summary

化学と産業

用途と製造

Uses · 2 件

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]

General Manufacturing Information1,2-Propanediamine: ACTIVE
応用分野 · 6 件

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

1,2-ジクロロプロパンアンモニア

下流製品

2-[(3-アミノプロピル)アミノ]エタンチオールホスファート

関連反応

93 件
反応記録を作成
HRID 46163 の反応式
HRID 46163反応物としてuspto-grants-2013_09
HRID 65698 の反応式
HRID 65698反応物としてuspto-grants-1978_12
HRID 65831 の反応式
HRID 65831反応物としてuspto-grants-1978_12
HRID 66329 の反応式
HRID 66329反応物としてuspto-grants-1978_12
HRID 109239 の反応式
HRID 109239反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 122995 の反応式
HRID 122995反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 134601 の反応式
HRID 134601反応物としてTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 254466 の反応式
HRID 254466反応物としてuspto-grants-2011_01
1 / 12 ページ

化合物ノート

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このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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Physical Description · 4 件

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.

Autoignition Temperature416 °C

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

· 1 件

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]

DOT ID and Guide2258 132
Reactive GroupAmines, Phosphines, and Pyridines
EC ClassificationSymbol: C; R: 10-21/22-35; S: (1/2)-26-37/39-45
UN ClassificationUN Hazard Class: 8; UN Subsidiary Risks: 3; UN Pack Group: II
Reactivity AlertsHighly Flammable
Reactivity Profile · 1 件

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.

Chemical DangersDecomposes on burning. This produces toxic fumes including nitrogen oxides. The substance is a strong base. It reacts violently with acid and is corrosive. Reacts with acid anhydrides, acid chlorides and strong oxidants.

安全と保護具

Fire Fighting · 2 件

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 · 4 件

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 · 2 件

· 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 · 2 件

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:

Safe StorageFireproof. Separated from food and feedstuffs, strong oxidants, acids, acid anhydrides and acid chlorides. Well closed. Store in an area without drain or sewer access.
Exposure Control and Personal Protection· Wear positive pressure self-contained breathing apparatus (SCBA).
Nonfire Spill ResponseExcerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:
Spillage Disposal · 1 件

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 · 2 件

Excerpt from ERG Guide 132 [Flammable Liquids - Corrosive]:

Immediate precautionary measure

Eye PreventionWear face shield or eye protection in combination with breathing protection.
Fire PreventionNO open flames, NO sparks and NO smoking. NO contact with oxidizing agents. Above 33 °C use a closed system, ventilation and explosion-proof electrical equipment.
Inhalation RiskA harmful contamination of the air can be reached rather quickly on evaporation of this substance at 20 °C.

毒性情報

Adverse EffectsDermatotoxin - Skin burns.
Exposure RoutesSerious local effects by all routes of exposure.
Signs and Symptoms · 4 件

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.

ICSC Environmental DataThe substance is harmful to aquatic organisms.

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
2-エチル-4-メチルイミダゾール
ペプロマイシン
2,6-ジメチルピラジン
N,N,N-トリメチル-3-[[9,10-ジヒドロ-4-(メチルアミノ)-9,10-ジオキソアントラセン-1-イル]アミノ]-1-プロパンアミニウム
1,2-ジメチル-1,4,5,6-テトラヒドロピリミジン
fluorocarbon sulfactant FC-3
Fluorocarbon Surfactant FN-2
Fluorocaruor surfactant FC-4
2,3-ジエチル-5-メチルピラジン

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.