基本情報
- CAS
527-62-8- 標準SMILES
Nc1cc(Cl)cc(Cl)c1O- InChIKey
WASQBNCGNUTVNI-UHFFFAOYSA-N- 分子式
- C6H5Cl2NO
- 平均分子量
- 178.01 g/mol
- 単同位体質量
- 176.97481914
概要
Long needles (from carbon disulfide). Sublimes (at 0.06 mmHg) at 158-176 °F. (NTP, 1992)
名称と識別子
- 優先名称
- 2-Amino-4,6-dichlorophenol
- IUPAC
- 2-amino-4,6-dichlorophenol
- 現地名
- 2,4-ジクロロ-6-アミノフェノール
- 英語名
- 2-Amino-4,6-dichlorophenol
- 分子式
- C6H5Cl2NO
- 分子量
- 178.02
名称と別名
名称をさらに表示
データベース識別子
- CAS
527-62-8- PubChem CID
- 10699
- DTXSID
DTXSID00870583- UNII
- ES86DYT9KH
- EC Number
- 208-421-3
- Nikkaji
- J7.742I
物性
構造計算による物性
- XLogP
- 2.3
- 極性表面積
- 46.3 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
- 0
- 重原子数
- 10
- 形式電荷
- 0
- 複雑度
- 122
実験および物理化学的性質
物理化学的性質
- 融点
- 97 °C · 97 °C
- 沸点
- 286.5 · 286.5±40.0 °C(Predicted)
- 比重(密度)
- 1.2549 · 1.2549 (rough estimate)
- 屈折率
- 1.568 · 1.5680 (estimate)
- 貯蔵温度
- Keep in dark place,Sealed in dry,Room Temperature
- 酸解離定数(Pka)
- 7.85 · 7.85±0.23(Predicted)
- 外見
- 個体
- 色
- 黄色から茶色
- Merck
- 14 · 14,437
- CAS データベース
- 527 · 527-62-8(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · 2-Amino-4,6-dichlorophenol (527-62-8)
化学的性質
化学的特性Off-white or light brown crystals
安全と法規制
GHS分類
GHS Classification
Danger
H301 (66.7%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
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 dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining 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 toluene followed by washing 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
- hs_code
- 2922290090
- 化審法
- (3)-990
- hazard_note
- Irritant
- hazard_class
- 6.1
化学と産業
応用分野
一般的な説明Long needles (from carbon disulfide). Sublimes (at 0.06 mm Hg) at 158-176°F.
調製方法
純化方法Crystallise the phenol from CS2 or *benzene. It sublimes at 0.06mm. The hydrochloride has m 280-285o from EtOH. [Meyer Helv Chim Acta 41 1890 1958, Beilstein 13 II 185, 13 III 856, 13 IV 889.]
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