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1,1-二氯-2,2-二氟乙烯 | 79-35-6

中文名称
1,1-二氯-2,2-二氟乙烯
中文别名
二氟二氯乙烯;1,1-二氟-2,3-二氯乙烯;1,1-二氟-2,2-二氯乙烯
英文名称
1,1'-dichloro-2,2'-difluoroethene
英文别名
2,2-dichloro-1,1-difluoroethene;1,1-dichloro-2,2-difluoroethylene;1,1-difluoro-1,1-dichloroethylene;1,1-dichloro-2,2-difluoroethene
1,1-二氯-2,2-二氟乙烯化学式
CAS
79-35-6
化学式
C2Cl2F2
mdl
MFCD00039338
分子量
132.925
InChiKey
QDGONURINHVBEW-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    -116°C
  • 沸点:
    19°C
  • 密度:
    1,439 g/cm3
  • 大气OH速率常数:
    7.35e-12 cm3/molecule*sec
  • 保留指数:
    454;454

计算性质

  • 辛醇/水分配系数(LogP):
    2.4
  • 重原子数:
    6
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.0
  • 拓扑面积:
    0
  • 氢给体数:
    0
  • 氢受体数:
    2

ADMET

毒理性
  • 副作用
神经毒素 - 急性溶剂综合征
Neurotoxin - Acute solvent syndrome
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
毒理性
  • 毒性数据
大鼠LC50 = 505毫克/立方米/4小时
LC50 (rat) = 505 mg/m3/4hr
来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

安全信息

  • 危险等级:
    6.1(a)
  • 危险品标志:
    Xi
  • 安全说明:
    S23,S45,S9
  • 危险类别码:
    R23
  • 包装等级:
    II
  • 危险类别:
    6.1(a)
  • 危险品运输编号:
    3162

SDS

SDS:7e5f5ee7c2e2a98ba1909b426e54f286
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Section 1: Product Identification
Chemical Name: 1,1-Dichloro-2,2-difluoroethylene, min. 97% (Material sold in non-returnable cylinder)
CAS Registry Number: 79-35-6
Formula: CCl2=CF2
EINECS Number: 201-198-3
Chemical Family: organofluorine compounds
Synonym: 2,2-Dichloro-1,1-difluoroethylene, Ethene, 1,1-dichloro-2,2-difluoro-

Section 2: Composition and Information on Ingredients
Ingredient CAS Number Percent ACGIH (TWA) OSHA (PEL)
Title Compound 79-35-6 100% 2.5mg/m3 (as F) 2.5mg/m3 (as F)

Section 3: Hazards Identification
Toxic by inhalation. Irritating to skin, eyes and respiratory tract. May cause respiratory depression at high
Emergency Overview:
concentrations. May be harmful if swallowed.
Primary Routes of Exposure: Ingestion, inhalation, eyes and skin
Eye Contact: Causes irritation of the eyes.
Skin Contact: Causes irritation of the skin. May cause redness, itching and pain.
Inhalation: Toxic by inhalation. May cause respiratory depression or failure at high concentrations
No specific information is available on the physiological effects of ingestion. May cause gastrointestinal
Ingestion:
irritation, nausea, and vomiting.
Acute Health Affects: Toxic by inhalation. Irritating to skin, eyes and causes respiratory and nervous system depression.
Product contains fluorine which under certain conditions of use, decomposition, or metabolism, may generate
Chronic Health Affects: fluoride ion, causing, nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth
structure, kidney and liver damage.
NTP: No
IARC: No
OSHA: No

SECTION 4: First Aid Measures
Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need
Eye Exposure:
assistance in keeping their eye lids open. Get immediate medical attention.
Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if
Skin Exposure:
irritation persists.
Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty
Inhalation:
in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance.
Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce
Ingestion:
vomiting only if directed by medical personnel.

SECTION 5: Fire Fighting Measures
Flash Point: not applicable
Autoignition Temperature: no data
Explosion Limits: no data
Extinguishing Medium: carbon dioxide, dry powder, or foam
If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure
Special Fire Fighting Procedures:
self-contained breathing apparatus and full protective clothing.
Hazardous Combustion and If involved in a fire, this material may emit toxic organic fumes, and corrosive hydrogen and carbonyl fluorides.
Decomposion Products:
Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
Spill and Leak Procedures:
swept up.

SECTION 7: Handling and Storage
Handling and Storage: Store in a tightly sealed container in a cool well ventilated area.

SECTION 8: Exposure Controls and Personal Protection
Eye Protection: Always wear approved safety glasses when handling a chemical substance in the laboratory.
Skin Protection: Wear protective clothing and gloves.
Ventilation: This product should only be handled in an efficient fume hood.
If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator
Respirator:
Protection Program to be in compliance with 29 CFR 1910.134.
Ventilation: This product should only be handled in an efficient fume hood.
Additional Protection: No additional protection required.

SECTION 9: Physical and Chemical Properties
Color and Form: colorless liq.
Molecular Weight: 133
Melting Point: -116°
Boiling Point: 19°C
Vapor Pressure: no data
Specific Gravity: no data
Odor: no data
Solubility in Water: insoluble

SECTION 10: Stability and Reactivity
Stability: air and moisture stable
Hazardous Polymerization: Hazardous polymerization possible
Conditions to Avoid: Free radical initiators
Incompatibility: oxidizing agents, halogens and active metals.
Decomposition Products: carbon monoxide, organic fumes, hydrogen fluoride, and carbonyl fluoride

SECTION 11: Toxicological Information
Inhalation (rat); LC50: 505 mg/m3/4H. Inhalation (mouse); LC50: 610 mg/m3/4H. Inhalation (guinea pig);
RTECS Data:
LC50: 700 mg/m3/4H. Inhalation (rat); TCLo: 13400 ug/m3/4H/17W-I.
Carcinogenic Effects: No data available
Mutagenic Effects: No data available
Tetratogenic Effects: No data available

SECTION 12: Ecological Information
Ecological Information: No information available

SECTION 13: Disposal Considerations
Disposal: Dispose of according to local, state and federal regulations.

SECTION 14: Transportation
Shipping Name (CFR): Compressed gases, Toxic, N.O.S.
Hazard Class (CFR): 2.3
Additional Hazard Class (CFR): NA
Packaging Group (CFR): NA
UN ID Number (CFR): UN #1955
Shipping Name (IATA): Prohibited
Hazard Class (IATA): NA
Additional Hazard Class (IATA): NA
Packaging Group (IATA): NA
UN ID Number (IATA): NA

SECTION 15: Regulatory Information
TSCA: Not listed in the TSCA inventory.
SARA (Title 313): Title compound not listed.
Second Ingredient: none


SECTION 16 - ADDITIONAL INFORMATION
N/A


制备方法与用途

化学性质:这是一种挥发性的液体。其凝固点为-127.1至-126.7℃(约-116℃),沸点为20.4℃(约19℃)。相对密度在-20/4℃时约为1.555,折光率在-20℃时约为1.383。

用途:它是麻醉药物甲氧氟烷的中间体。

生产方法:由1,2-二-1,1,2,2-四氯乙烷(即里昂112)通过重排和消除反应制得。

上下游信息

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Henne; Arnold, Journal of the American Chemical Society, 1948, vol. 70, p. 759
    摘要:
    DOI:
  • 作为产物:
    描述:
    参考文献:
    名称:
    Production of fluoroethylenes
    摘要:
    公开号:
    US02722558A1
  • 作为试剂:
    描述:
    Phenyl-acetic acid 2-thioxo-2H-pyridin-1-yl ester1,1-二氯-2,2-二氟乙烯 作用下, 以 乙腈 为溶剂, 反应 7.0h, 以44%的产率得到1,1-dichloro-2,2-difluoro-1-(2-pyridylthio)-3-phenylpropane
    参考文献:
    名称:
    一种简便的α,α-二氟链烷羧酸及其酯的制备方法。使用自由基反应将二氟亚甲基正式插入烷烃中
    摘要:
    通过一系列Barton酯的光反应生成的各种烷基自由基与1,1-二氯-2,2-二氟乙烯反应,生成自由基加合物作为主要产物,并伴有自捕获产物。伯,仲,叔,苄基和一些不饱和烷基以及具有另一官能团的那些如醚,羰基和叠氮化物是适用的。二元酸的巴顿酯还可以提供1:2加合物,以及少量的1:1加合物和双自陷产物(琥珀色情况除外)。这些加合物用AgNO 3 / H 2 O-THF水解为α,α-二氟链烷羧酸,并用AgNO 3甲醇水解。用/ MeOH制得相应的甲酯。将4-叠氮基-2,2-二氟丁酸和甲酯转化为二氟-GABA和二氟-γ-内酰胺。
    DOI:
    10.1016/0040-4020(94)01099-l
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文献信息

  • Reaction of polyfluoroalkenes with diphenylacetonitrile carbanion in a two-phase system
    作者:Mieczystaw Ma̧kosza、Halina Plenkiewicz
    DOI:10.1016/s0022-1139(00)83158-9
    日期:1984.4
    The carbanion of diphenylacetonitrile (DPA) generated in a catalytic two phase system reacts with polyfluoroalkenes to give addition-elimination products. Reaction of DPA with some polyfluorochloroalkanes was studied; elimination, addition-elimination and SN2 reactions were observed.
    在催化两相系统中生成的二苯基乙腈(DPA)的碳负离子与多烯烃反应生成加成消除产物。研究了DPA与一些多烷烃的反应。观察到消除,加成消除和S N 2反应。
  • Sulfur-substituted diphenyl ethers having antiviral activity
    申请人:The Dow Chemical Company
    公开号:US04349568A1
    公开(公告)日:1982-09-14
    Novel compounds exhibiting antiviral activity are disclosed, such compounds are represented by the formula: ##STR1## wherein m represents the integer 0, 1 or 2; R represents trihalomethyl, alkyl or phenyl; R.sub.1 represents hydrogen, bromo, chloro, fluoro, cyano, nitro, amino, alkyl, alkoxy or trifluoromethyl; R.sub.2 represents hydroxyl, bromo, chloro, fluoro, cyano, acetyl, benzoyl, substituted benzoyl, alkyl, alkoxy, substituted alkoxy, benzyl, substituted benzyl, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, or the radical --O(CH.sub.2).sub.n R.sub.4 wherein n represents the integer 1, 2 or 3 and R.sub.4 represents cyano or dialkylamino; R.sub.3 represents hydrogen, hydroxyl, bromo, chloro, fluoro, cyano, acetyl, benzoyl, substituted benzoyl, alkyl, alkoxy, substituted alkoxy, benzyl, substituted benzyl, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylaminosulfonyl, dialkylaminosulfonyl, or the radical --O(CH.sub.2).sub.n R.sub.4 wherein n represents the integer 1, 2 or 3; and R.sub.4 represents cyano or dialkylamino; or alternatively R.sub.2 and R.sub.3 taken together represent the radical --O--C(X).sub.2 --O-- wherein X represents hydrogen, bromo, chloro or fluoro. Methods of using the above-noted compounds and structurally related compounds to employ their antiviral activity are also disclosed as well as pharmaceutically-acceptable compositions.
    披露了具有抗病毒活性的新型化合物,这些化合物可以用以下公式表示:##STR1## 其中,m代表整数0、1或2;R代表三卤甲基、烷基或苯基;R.sub.1代表氢、、硝基、基、烷基、烷氧基或三甲基;R.sub.2代表羟基、、乙酰基、苯甲酰基、取代的苯甲酰基、烷基、烷氧基、取代的烷氧基、苄基、取代的苄基、烷基亚砜、烷基亚磺酰基、烷基亚磺酰基、烷基磺酰基、二烷基磺酰基,或者自由基--O(CH.sub.2).sub.n R.sub.4,其中n代表整数1、2或3,R.sub.4代表或二烷基基;R.sub.3代表氢、羟基、、乙酰基、苯甲酰基、取代的苯甲酰基、烷基、烷氧基、取代的烷氧基、苄基、取代的苄基、烷基亚砜、烷基亚磺酰基、烷基亚磺酰基、烷基磺酰基、二烷基磺酰基,或者自由基--O(CH.sub.2).sub.n R.sub.4,其中n代表整数1、2或3;R.sub.4代表或二烷基基;或者R.sub.2和R.sub.3共同代表自由基--O--C(X).sub.2 --O--,其中X代表氢、。还披露了使用上述化合物的结构相关化合物来发挥它们的抗病毒活性的方法,以及药物可接受的组合物。
  • The 1,2-fluorine atom migration in the epoxide of 1,1-dichlorodifluoroethene. The infrared spectrum of dichlorofluoroacetyl fluoride
    作者:Joanna Czarnowski
    DOI:10.1016/s0022-1139(00)82372-6
    日期:1990.5
    reaction of NO2 with 1,1- dichlorodifluoroethene, CF2CCl2, in presence of O2 at 257.3 K and 300.2°K. Five other products: COF2, COCl2, O2NCF2C(O)Cl, CF2ClCCl2NO2 and CF2ClCCl2O2NO2 were also formed in minor amounts or traces, depending on the relation between NO2, CF2CCl2 and O2. The initial pressure of NO2 was varied between 0.7 and 4.7 torr, that of CF2CCl2 between 18.4 and 81.9 torr, and that of O2 between
    1,2-二乙烯环氧化物乙酰氯CF 2 ClC(O)Cl是在存在下NO 2与1,1-二乙烯CF 2 CCl 2进行气相热反应的主要产物。在257.3 K和300.2°K下的O 2含量。根据NO之间的关系,还少量或痕量地形成了其他五种产品:COF 2,COCl 2,O 2 NCF 2 C(O)Cl,CF 2 ClCCl 2 NO 2和CF 2 ClCCl 2 O 2 NO 2。2个CF 2 CCl 2和O 2。NO 2的初始压力在0.7至4.7托之间变化,CF 2 CCl 2的初始压力在18.4至81.9托之间变化,O 2的初始压力在50.4至696.3托之间变化。从未观察到向CF 2 ClC(O)Cl的异构化,但是,在存在蒸气的情况下,发生了向CFCl 2 C(O)F的重排,涉及到原子意外的1,2-迁移。给出了CFCl 2 C(O)F的红外光谱。提出了基本反应顺序来解释CF
  • 新規ベンズオキサゾロン化合物
    申请人:大日本住友製薬株式会社
    公开号:JP2017001991A
    公开(公告)日:2017-01-05
    【課題】神経障害性疼痛、侵害受容性疼痛、炎症性疼痛、小径線維ニューロパチー、肢端紅痛症、発作性激痛症、排尿障害または多発性硬化症等の疾患に対する治療薬の提供。【解決手段】式(1)で表されるベンズオキサゾロン化合物又はその薬学上許容される塩[R1及びR2は各々独立にH又はC1−6アルキル(該アルキルは、ヒドロキシ、C1−4アルキルスルホニル、アミノカルボニル又は4〜7員のヘテロシクロアルキルによって置換されていてもよい)等;LはC1−6アルキレン;R3はC1−6アルキル、C3−7シクロアルキル(該シクロアルキルはハロゲン又はヒドロキシ等によって置換されていてもよい)、C6−10アリール(該アリールは、ハロゲン、C1−4アルキル又はC1−4ハロアルキル等によって置換されていてもよい);R4はH、ハロゲン又はC1−4アルキル]【選択図】なし
    提供治疗神经病性疼痛、侵害性疼痛、炎症性疼痛、小径神经病、肢端红痛症、阵发性剧痛症、排尿障碍或多发性硬化症等疾病的药物。通过式(1)表示的苯并噁唑烷化合物或其药学上可接受的盐[R1和R2各自独立地为H或C1-6烷基(该烷基可被羟基、C1-4烷基磺酰基、基甲酰基或被4-7元杂环烷基取代)等;L为C1-6亚烷基;R3为C1-6烷基、C3-7环烷基(该环烷基可被卤素或羟基等取代)、C6-10芳基(该芳基可被卤素、C1-4烷基或C1-4卤代烷基等取代);R4为H、卤素或C1-4烷基]【选择图】无
  • Perfluoroalkyl hypobromites: synthesis and reactivity with some fluoroalkenes
    作者:John D.O. Anderson、Darryl D. DesMarteau
    DOI:10.1016/0022-1139(96)03400-8
    日期:1996.4
    prepared by the reaction of bromine(I) fluorosulfate with perfluorinated tertiary alkoxides of general formula RfC (CF3)2ONa where RfCF3 or CF3CF2. These hypobromites are of lower thermal stability but they behave similarly to analogous hypochlorites and decompose rapidly above −20 °C to give CF3C(O)CF3 and either CF3Br or CF3CF2Br. New polyfluoroethers generated from the reaction of perfluoroalkyl
    第一全氟烷基次溴酸盐已经制备由(I)氟代硫酸盐的用通式R全氟化叔醇盐反应˚F C(CF 3)2 ONA其中R ˚F CF 3或CF 3 CF 2。这些次化物的热稳定性较低,但其行为与类似的次氯酸盐相似,在-20°C以上会迅速分解,得到CF 3 C(O)CF 3和CF 3 Br或CF 3 CF 2 Br。全氟烷基次化物与代烯烃反应生成的新的聚醚的特征为19F和1 H NMR光谱,IR光谱和MS。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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ir
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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