基本情報
- 標準SMILES
Nc1ccc(F)cc1F- InChIKey
CEPCPXLLFXPZGW-UHFFFAOYSA-N- 分子式
- C6H5F2N
- 平均分子量
- 129.11 g/mol
- 単同位体質量
- 129.0390056
概要
2,4-difluoroaniline is a dark reddish-purple liquid. (NTP, 1992)
名称と識別子
- 優先名称
- 2,4-Difluoroaniline
- IUPAC
- 2,4-difluoroaniline
- 現地名
- 2,4-ジフルオロアニリン
- 英語名
- 2,4-Difluoroaniline
- 分子式
- C6H5F2N
- 分子量
- 129.11
名称と別名
名称をさらに表示
データベース識別子
- CAS
367-25-9- PubChem CID
- 9709
- DTXSID
DTXSID6025064- ChEMBL
CHEMBL1423658- UNII
- 40P93L7KWD
- EC Number
- 206-687-5
- Nikkaji
- J193.875D
物性
構造計算による物性
- XLogP
- 1.5
- 極性表面積
- 26 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 3
- 回転可能結合数
- 0
- 重原子数
- 9
- 形式電荷
- 0
- 複雑度
- 97.1
実験および物理化学的性質
物理化学的性質
- 融点
- -7.5 °C · -7.5 °C (lit.)
- 沸点
- 170 °C/753 · 170 °C/753 mmHg (lit.)
- 比重(密度)
- 1.268 g/mL · 1.268 g/mL at 25 °C (lit.)
- 屈折率
- 20 · n20/D 1.506(lit.)
- 闪点
- 145 °F · 145 °F
- 貯蔵温度
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- 溶解性
- 混和しないか、混合しにくい。
- 外見
- 液体
- 酸解離定数(Pka)
- 3.26 · 3.26±0.10(Predicted)
- 比重
- 1.284 · 1.284 (20/4℃)
- 色
- クリアブラウン
- 水溶解度
- 20.55 ℃で1~5g/100mL · 20.55℃で1~5g/100mL
- Merck
- 14 · 14,3147
- BRN
- 2802556 · 2802556
- 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/C6H5F2N/c7-4-1-2-6(9)5(8)3-4/h1-3H,9H2
- InChIKey
- CEPCPXLLFXPZGW-UHFFFAOYSA-N
- SMILES
- Nc1ccc(F)cc1F
- LogP
- 1.7 at · 1.7 at 25℃ and pH5-9
- CAS データベース
- 367 · 367-25-9(CAS DataBase Reference)
- NISTの化学物質情報
- 2 · 2,4-Difluoroaniline(367-25-9)
- EPAの化学物質情報
- 2 · 2,4-Difluoroaniline (367-25-9)
化学的性質
化学的特性dark red liquid
安全と法規制
GHS分類
GHS Classification
Danger
H302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 157 reports by companies from 10 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: Benzenamine, 2,4-difluoro-
Status: Active Update: 19-02-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/24338
Benzenamine, 2,4-difluoro-: Does not have an individual approval but may be used under an appropriate group standard
Reactivity Profile
Anilines 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.
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, FIRST REMOVE ALL SOURCES OF IGNITION. Then, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated 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.
Personal Protective Equipment (PPE)
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)
安全データ
- F
- 8-9-23
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- BX3680000
- ridadr
- UN 2941 6.1/PG 3
- hs_code
- 29214210
- risk_code
- 20/21/22-36/37/38
- 化審法
- (3)-4289
- 消防法
- 危-4-2-III
- hazard_code
- Xn,T,Xi
- hazard_note
- Toxic
- safety_code
- 28-36/37/39-26-36
- hazard_class
- 6.1
- packing_group
- III
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 4 Oral
- ストレージクラス
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
化学と産業
用途と製造
応用分野
使用2,4-Difluoroaniline is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
一般的な説明Dark reddish-purple liquid.
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