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2-クロロ-1-(ジメチルアミノ)プロパン塩酸塩

2-Chloropropyldimethylamine hydrochloride

HCID 94294
ノート反応

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基本情報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
部分構造検索類似構造を探す

基本情報

CAS
4584-49-0
標準SMILES
CC(Cl)CN(C)C.Cl
InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N
分子式
C5H13Cl2N
平均分子量
158.07 g/mol
単同位体質量
157.0425048

名称と識別子

優先名称
2-Chloropropyldimethylamine hydrochloride
IUPAC
2-chloro-N,N-dimethylpropan-1-amine;hydrochloride
現地名
2-クロロ-1-(ジメチルアミノ)プロパン塩酸塩
英語名
2-Dimethylaminoisopropyl chloride hydrochloride
分子式
C5H13Cl2N
分子量
158.07

名称と別名

4584-49-02-chloropropyldimethylamine hydrochlorideDTXSID3024780(2-Chloropropyl)dimethylamine hydrochlorideNSC 535322-Chloro-N,N-dimethyl-1-propanamine hydrochlorideAO9WB15SNZAI3-26684NSC 5367EINECS 224-971-71-Propanamine, 2-chloro-N,N-dimethyl-, hydrochlorideNSC-5367
名称をさらに表示
2-クロロ-1-(ジメチルアミノ)プロパン塩酸塩2-クロロ-3-(ジメチルアミノ)プロパン·塩酸塩2-クロロ-N,N-ジメチル-1-プロパンアミン·塩酸塩2-クロロ-N,N-ジメチルプロピルアミン塩酸塩2-(ジメチルアミノ)イソプロピルクロリド塩酸塩2-ジメチルアミノイソプロピルクロリド塩酸塩塩化2-ジメチルアミノイソプロピル塩酸塩β-(ジメチルアミノ)イソプロピルクロライド塩酸塩DMIC2-DMPC2-DIMETHYLAMINO ISOPROPYL CHLORIDE HCLN,N-Dimethyl-2-chloropropylamine hydrochloride2-CHLOROPROPYLDIMETHYLAMMONIUM CHLORIDE2-CHLORO-N,N-DIMETHYLPROPYLAMINE HYDROCHLORIDE1-(DIMETHYLAMINO)-2-CHLOROPROPANE HYDROCHLORIDEB-DIMETHYLAMINOISOPROPYL CHLORIDE HYDROCHLORIDE2-DMPC 99%DMIC 99%min
UNII-AO9WB15SNZNSC-53532DTXCID2047801-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1)1-dimethylamino-2-propyl chloride hydrochloride1-DIMETHYLAMINOPROPAN-2-YL CHLORIDE HYDROCHLORIDERefChem:865352Chloropropyldimethylammonium chloride

データベース識別子

CAS
4584-49-0
PubChem CID
94294
DTXSID
DTXSID3024780
UNII
AO9WB15SNZ
EC Number
224-971-7

物性

構造計算による物性補完中

極性表面積
3.2 Ų
水素結合供与体数
1
水素結合受容体数
1
回転可能結合数
2
重原子数
8
形式電荷
0
複雑度
45

実験および物理化学的性質

Solubilitygreater than or equal to 100 mg/mL at 70 °F (NTP, 1992)
Melting Point381 to 383 °F (NTP, 1992)
Physical Description · 2 件

2-chloro-n,n-dimethyl-1-propanamine hydrochloride is an off-white chunky solid. (NTP, 1992)

Off-white hygroscopic solid; [CAMEO] White to light cream hygroscopic powder; [Acros Organics MSDS]

物理化学的性質

融点
187 · 187-190 °C(lit.)
貯蔵温度
30 °C · Store below +30°C.
溶解性
2000 g/リットル · 2000g/リットル
外見
結晶性粉末
色
ホワイト~ライトクリーム
PH
5 · 5-6 (500g/l, H2O, 20℃)
水溶解度
2000 g/L · 2000g/L(20℃)
BRN
3670215 · 3670215
InChI
InChI=1S/C5H12ClN.ClH/c1-5(6)4-7(2)3;/h5H,4H2,1-3H3;1H
InChIKey
OCWGRWAYARCRTQ-UHFFFAOYSA-N
SMILES
C(Cl)(C)CN(C)C.Cl
CAS データベース
4584 · 4584-49-0(CAS DataBase Reference)

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 · 5 件

Danger

H301 (17.8%): Toxic if swallowed [Danger Acute toxicity, oral];H302 (80.8%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (93.2%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (93.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H335 (76.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation];H400 (15.1%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (15.1%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 73 reports by companies from 13 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.

危険有害性情報

Regulatory Information · 2 件

Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21271

1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

化学と産業

用途と製造

General Manufacturing Information1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride (1:1): ACTIVE

応用分野

使用2-Chloro-N,N-dimethylpropylamine hydrochloride (DMIC) is used as intermediate for the syntheses of pharmaceuticals (e.g. isothipendyl, methadone and promethazine)

一般的な説明Off-white chunky solid.

上流・下流製品情報

上流原料

1-ジメチルアミノ-2-プロパノール塩化スルフィニル

サプライヤー100 社

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関連反応

6 件
反応記録を作成
HRID 436134 の反応式
HRID 436134反応物としてuspto-grants-1977_02
HRID 726793 の反応式
HRID 726793反応物としてuspto-grants-1998_01
HRID 839292 の反応式
HRID 839292反応物としてuspto-grants-1978_06
HRID 1111364 の反応式
HRID 1111364反応物としてuspto-grants-1990_12
HRID 1494407 の反応式
HRID 1494407反応物としてuspto-grants-1991_06
HRID 1606442 の反応式
HRID 1606442反応物としてuspto-grants-1976_04

化合物ノート

読み込み中…

このページの内容基本情報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
EPAの化学物質情報
2 · 2-Chloro-N,N-dimethyl-1-propanamine hydrochloride (4584-49-0)

化学的性質

化学的特性Colourless to pale beige crystalline powder

SYMPTOMS: Symptoms of exposure to this chemical may include irritation of the skin, eyes, mucous membranes and upper respiratory tract.;ACUTE/CHRONIC HAZARDS: This chemical may cause irritation. When heated to decomposition it emits toxic fumes of carbon monoxide, carbon dioxide, nitrogen oxides and hydrogen chloride gas. (NTP, 1992)

Hazards SummaryCauses somnolence in subcutaneous lethal-dose studies of mice (LD50 = 200 mg/kg); [RTECS] An irritant; [Acros Organics MSDS] See N,N-Dimethylaminoethyl chloride hydrochloride.
Reactive GroupAmines, Phosphines, and Pyridines;Halogenated Organic Compounds
Reactivity Profile · 1 件

2-CHLORO-N,N-DIMETHYL-1-PROPANAMINE HYDROCHLORIDE is incompatible with strong oxidizing agents. (NTP, 1992). Amines are chemical bases. They neutralize acids to form salts plus water. These acid-base reactions are exothermic. The amount of heat that is evolved per mole of amine in a neutralization is largely independent of the strength of the amine as a base. Amines may be incompatible with isocyanates, halogenated organics, peroxides, phenols (acidic), epoxides, anhydrides, and acid halides. Flammable gaseous hydrogen is generated by amines in combination with strong reducing agents, such as hydrides.

Air and Water ReactionsThis chemical is hygroscopic. Soluble in water.
Hazard Classes and CategoriesAcute Tox. 3 (17.8%);Acute Tox. 4 (80.8%);Skin Irrit. 2 (93.2%);Eye Irrit. 2 (93.2%);STOT SE 3 (76.7%);Aquatic Acute 1 (15.1%);Aquatic Chronic 1 (15.1%)

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 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.;SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.;INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing.;INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces 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.;STORAGE PRECAUTIONS: You should store this chemical under ambient temperatures, and protect it from moisture. If possible, it would be prudent to store this compound under inert atmosphere. (NTP, 1992)

Isolation and Evacuation · 1 件

Excerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:;IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area in all directions for at least 50 meters (150 feet) for liquids and at least 25 meters (75 feet) for solids.;SPILL: Increase the immediate precautionary measure distance, in the downwind direction, as necessary.;FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Personal Protective Equipment (PPE) · 1 件

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)

法規制情報

Regulatory Information · 2 件

Status: Active Update: 09-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/21271

1-Propanamine, 2-chloro-N,N-dimethyl-, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard

安全データ

wgk
3
tsca
TSCA listed
rtecs
TY1225000
ridadr
2811
hs_code
29211980
risk_code
22-36/37/38
hazard_code
Xn,Xi
safety_code
26-36
hazard_class
6.1(b)
packing_group
III
Hazard Classifications
Acute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Eye Irrit. 2Skin Irrit. 2STOT SE 3
ストレージクラス
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
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