基本情報
- 標準SMILES
O=Nc1ccc2ccccc2c1O- InChIKey
SYUYTOYKQOAVDW-UHFFFAOYSA-N- 分子式
- C10H7NO2
- 平均分子量
- 173.17 g/mol
- 単同位体質量
- 173.04767846
概要
a carcinogen; structure in first source
名称と識別子
- 優先名称
- 2-Nitroso-1-naphthol
- IUPAC
- 2-nitrosonaphthalen-1-ol
- 現地名
- 2-ニトロソ-1-ナフトール
- 英語名
- 2-Nitroso-1-naphthol
- 分子式
- C10H7NO2
- 分子量
- 173.17
名称と別名
名称をさらに表示
データベース識別子
- CAS
132-53-6、6373-60-0- PubChem CID
- 8592
- DTXSID
DTXSID4059625- UNII
- CC0S5HO41V
- EC Number
- 205-064-5
- Nikkaji
- J1.405.240B、J1.405.241K、J5.571I、J70.154H
物性
構造計算による物性
- XLogP
- 2.5
- 極性表面積
- 49.7 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
- 13
- 形式電荷
- 0
- 複雑度
- 195
実験および物理化学的性質
物理化学的性質
- 融点
- 150 · 150-155 °C (dec.)(lit.)
- 沸点
- 303.81 °C · 303.81°C (rough estimate)
- 比重(密度)
- 1.2427 · 1.2427 (rough estimate)
- 屈折率
- 1.52 · 1.5200 (estimate)
- 酸解離定数(Pka)
- 7.47 · 7.47±0.10(Predicted)
- 外見
- 個体
- 色
- 2 O · H2O または C6H6 からの黄色の針
- 臭い (Odor)
- 無臭
- 水溶解度
- わずかに溶ける
- BRN
- 1867919 · 1867919
- InChI
- 1S/C10H7NO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11-13/h1-6,12H
- InChIKey
- SYUYTOYKQOAVDW-UHFFFAOYSA-N
- SMILES
- Oc1c(ccc2ccccc12)N=O
- CAS データベース
- 132 · 132-53-6(CAS DataBase Reference)
- NISTの化学物質情報
- 1 · 1-Naphthalenol, 2-nitroso-(132-53-6)
- EPAの化学物質情報
- 1 · 1-Naphthalenol, 2-nitroso- (132-53-6)
化学的性質
化学的特性yellow-greenish to yellow-brownish powder
安全と法規制
GHS分類
GHS Classification
Warning
H315 (97.8%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 5 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-Naphthalenol, 2-nitroso-
1-Naphthalenol, 2-nitroso-: Does not have an individual approval but may be used under an appropriate group standard
安全と保護具
Cleanup Methods
A NEW ENZYMIC METHOD WAS DEVELOPED FOR THE REMOVAL OF PHENOLS & ANILINES FROM INDUSTRIAL WASTEWATERS. THIS INVOLVES THE TREATMENT OF AQ SOLN CONTAINING THE POLLUTANTS WITH HORSERADISH PEROXIDASE & H2O2. SUCH TREATMENT RESULTS IN PPTN OF PHENOLS & AROMATIC AMINES FROM WATER AS A RESULT OF THEIR ENZYMIC CROSSLINKING.
毒性情報
安全データ
- F
- 8
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- QL4550000
- 毒性
- LD orl-rat: >500 mg/kg NCNSA6 5,35,53
- hs_code
- 2929900090
- risk_code
- 36/37/38
- 消防法
- 危-5-II
- hazard_code
- Xi
- safety_code
- 26
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 132-53-6(Hazardous Substances Data)
化学と産業
薬理情報
Metabolism/Metabolites
PARTIALLY PURIFIED, UNTREATED RAT LIVER CYTOSOL CONTAINS AT LEAST 2 ENZYMES WHICH RAPIDLY REDUCE THE C-NITROSO CARCINOGEN, 2-NITROSO-1-NAPHTHOL IN THE PRESENCE OF NADPH OR NADH AT PH 6-7. 2-NITROSO-1-NAPHTHOL WAS NOT REDUCED BY RAT KIDNEY OR BRAIN CYTOSOL, PLASMA, OR HEMOGLOBIN.
用途と製造
Uses
Used as a dye oxidation base for fur, cotton, jute, and viscose; [HSDB]
Fur Dressing and Dyeing [Category: Industry]
OXIDATION BASE FOR DYE-EG, FOR FUR, COTTON, JUTE, VISCOSE
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
(1981) NO EVIDENCE OF COMMERCIAL PRODN IN U.S.
General Manufacturing Information
1-Naphthalenol, 2-nitroso-: ACTIVE
A 0.5% 2-NITROSO-1-NAPHTHOL SOLN IN DIMETHYL CARBONATE WAS STUDIED FOR ITS POTENTIAL AS TRACE METAL DETECTION REAGENT. A METAL OBJECT MUST BE HELD FOR APPROX 1.5 MIN FOR SATISFACTORY COLOR & PATTERN FORMATION TO BE OBSERVED BY THIS PROCEDURE. BEST RESULTS WERE OBTAINED ON INDIVIDUALS WITH HIGH LEVELS OF PERSPIRATION.
HYDROGEN SULFIDE IS REMOVED FROM WASTE GAS BY CATALYTIC OXIDATION WITH A NONTOXIC ALKALINE SOLN CONTAINING AN AROMATIC NITROSO COMPD, A HYDROXY AMINO COMPD, AN FE SALT, & A CHELATING AGENT; & THE SPENT SOLN IS REGENERATED BY OXIDATION WITH A GAS CONTAINING OXYGEN. THUS, A WASTE GAS CONTAINING 3300 PPM H2S WAS SCRUBBED COUNTERCURRENTLY WITH A SOLN (PH 9) CONTAINING 0.01 MOL EACH OF 2-NITROSO-1-NAPHTHOL (IN 4-SULFONIC ACID), FESO4, EDTA, & CITRIC ACID IN A TOWER CONTAINING RASCHIG RINGS.
A TRACE METAL DETECTION TECHNIQUE FOR USE IN FORENSIC SCIENCE IS DESCRIBED WHICH UTILIZES 2-NITROSO-1-NAPHTHOL. A 0.5% SOLN OF 2-NITROSO-1-NAPHTHOL IN METHYL CARBONATE IS SPRAYED ON SKIN AFTER HOLDING VARIOUS METALLIC OBJECTS, WITH THE IMMEDIATE APPEARANCE OF COLOR THAT MAXIMIZES WITHIN MIN. 2-NITROSO-1-NAPHTHOL WAS AS SENSITIVE TO FE & CU AS THE NORMAL REAGENT 8-HYDROXYQUINOLINE, BUT LESS SENSITIVE BY A FACTOR OF APPROX 100 TO ZN.
応用分野
一般的な説明2-nitroso-1-naphthol helps in the extraction of cobalt ion as it is used as a selective complexing agent. It is used in the separation and preconcentration of Th(IV), Ti(IV), Fe(III), Pb(II) and Cr(III) by solid phase extraction.
調製方法
純化方法Purify the naphthol by recrystallisation from pet ether (b 60-80o) or by dissolving it in hot EtOH, followed by successive addition of small volumes of water (m 158o dec). It also crystallises from *C6H6 or H2O. Crystallisation from *C6H6/pet ether gives m (106-109 o, also 109.5o). It has max at 274.5 and 382nm (CHCl3). It complexes with metals. [Beilstein 7 H 712, 7 I 385, 7 II 647, 7 III 3688, 7 IV 2419.]
上流・下流製品情報
上流原料
下流製品
サプライヤー50 社
関連反応
関連ノート
読み込み中…