基本情報
- 標準SMILES
CCCCCCNCCCCCC- InChIKey
PXSXRABJBXYMFT-UHFFFAOYSA-N- 分子式
- C12H27N
- 平均分子量
- 185.35 g/mol
- 単同位体質量
- 185.21434986
概要
Dihexylamine is a clear colorless liquid. (NTP, 1992)
名称と識別子
- 優先名称
- Dihexylamine
- IUPAC
- N-hexylhexan-1-amine
- 現地名
- ジヘキシルアミン
- 英語名
- Di-n-hexylamine
- 分子式
- C12H27N
- 分子量
- 185.35
名称と別名
名称をさらに表示
データベース識別子
- CAS
143-16-8- PubChem CID
- 8920
- DTXSID
DTXSID1022009- ChEMBL
CHEMBL3188279- UNII
- K37ADA14ZV
- EC Number
- 205-588-4
- Nikkaji
- J27.960I
物性
構造計算による物性
- XLogP
- 4.5
- 極性表面積
- 12 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
- 10
- 重原子数
- 13
- 形式電荷
- 0
- 複雑度
- 71.2
実験および物理化学的性質
Chemical Classes
Nitrogen Compounds -> Amines, Aliphatic
Flammable agents - 3rd degree
Physical Description
Dihexylamine is a clear colorless liquid. (NTP, 1992)
Colorless liquid; [CAMEO] Clear light yellow liquid; [Sigma-Aldrich MSDS]
物理化学的性質
- 融点
- 3 °C · 3 °C
- 沸点
- 192 · 192-195 °C(lit.)
- 比重(密度)
- 0.795 g/mL · 0.795 g/mL at 25 °C(lit.)
- 蒸気密度
- 6.4 · 6.4 (vs air)
- 蒸気圧
- 0.05 hPa · 0.05 hPa (20 °C)
- 屈折率
- 20 · n20/D 1.432(lit.)
- 闪点
- 203 °F · 203 °F
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- 0.3 g/l · 0.3g/l
- 酸解離定数(Pka)
- 1 · pK1:11.0(+1) (25°C)
- 外見
- 液体
- 色
- 無色透明
- PH
- 9.9 · 9.9 (0.3g/l, H2O, 25℃)
- 爆発限界(explosive limit)
- 0.7 · 0.7-5.9%(V)
- 水溶解度
- 水と混和します。
- Merck
- 14 · 14,7650
- BRN
- 1738519 · 1738519
- Henry's Law Constant
- 1.3 · 1.3×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
- 安定性
- 安定。可燃性。強力な酸化剤とは相容れない。
- InChI
- 1S/C12H27N/c1-3-5-7-9-11-13-12-10-8-6-4-2/h13H,3-12H2,1-2H3
- InChIKey
- PXSXRABJBXYMFT-UHFFFAOYSA-N
- SMILES
- CCCCCCNCCCCCC
- CAS データベース
- 143 · 143-16-8(CAS DataBase Reference)
- EPAの化学物質情報
- Dihexylamine (143-16-8)
化学的性質
化学的特性colourless liquid
安全と法規制
GHS分類
GHS Classification
This chemical does not meet GHS hazard criteria for 0.7% (1 of 151) of reports.
Danger
H300 (72.2%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 151 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: 1-Hexanamine, N-hexyl-
Dihexylamine: HSNO Approval: HSR004442 Approved with controls
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.)
Hazards Summary
A severe eye and mild skin irritant; [RTECS] Readily absorbed through skin; [NTP] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; Toxic by ingestion; Highly toxic by skin absorption; [Sigma-Aldrich MSDS] See 2-Ethylhexylamine.
Reactivity Profile
DIHEXYLAMINE 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. Flammable gaseous hydrogen may be generated in combination with strong reducing agents, such as hydrides.
Hazard Classes and Categories
Acute Tox. 2 (72.2%)
Flammable agents - 3rd degree
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, 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 alcohol followed by washing with a strong 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.
毒性情報
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- IH6600000
- ridadr
- UN 2922 8/PG 2
- 毒性
- LD50 orally in Rabbit: 42 mg/kg LD50 dermal Rabbit < 160 mg/kg
- hs_code
- 29211990
- risk_code
- 22-24-34
- 化審法
- (2)-3967
- 消防法
- 危-4-3-III
- hazard_code
- T
- safety_code
- 26-36/37/39-45
- hazard_class
- 6.1
- packing_group
- I
- 自然発火温度
- 250 °C
- Hazard Classifications
- Acute Tox. 1 DermalAcute Tox. 2 InhalationAcute Tox. 2 OralAquatic Acute 1Aquatic Chronic 1Eye Dam. 1Skin Corr. 1A
- ストレージクラス
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
化学と産業
用途と製造
応用分野
使用Di-n-hexylamine is used in organic synthesis and involved in the preparation of succinic acid.
一般的な説明Clear colorless liquid.
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