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二(三氯甲)砜 | 3064-70-8

中文名称
二(三氯甲)砜
中文别名
六氯二甲砜;双(三氯甲基)砜
英文名称
bis (trichloromethyl)-sulfone
英文别名
bis(trichloromethyl)sulfone;hexachlorodimethyl sulfone;N-1386;hexachlorodimethyl sulphone;bis-trichloromethyl sulfone;Bis-trichlormethyl-sulfon;trichloro(trichloromethylsulfonyl)methane
二(三氯甲)砜化学式
CAS
3064-70-8
化学式
C2Cl6O2S
mdl
——
分子量
300.805
InChiKey
YBNLWIZAWPBUKQ-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:
    36-38 °C
  • 沸点:
    76.5-78.0 °C(Press: 0.2 Torr)
  • 密度:
    1.8665 (estimate)
  • 溶解度:
    氯仿(微溶)、甲醇(微溶)
  • LogP:
    3.300
  • 物理描述:
    Bis (trichloromethyl) sulfone appears as an off-white powdered solid with an aromatic odor. Contact may irritate skin, eyes or mucous membranes. May be toxic by ingestion, inhalation or skin absorption. Used to make other chemicals.
  • 颜色/状态:
    Off white
  • 气味:
    Pungent aromatic
  • 蒸汽压力:
    3.1X10-3 mm Hg at 25 °C (est)
  • 分解:
    When heated to decomposition it emits very toxic fumes of /hydrogen chloride and sulfur oxides/.

计算性质

  • 辛醇/水分配系数(LogP):
    3.5
  • 重原子数:
    11
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    42.5
  • 氢给体数:
    0
  • 氢受体数:
    2

ADMET

毒理性
  • 解毒与急救
/SRP:/ 立即急救:确保已经进行了充分的中和。如果患者停止呼吸,请开始人工呼吸,最好使用需求阀复苏器、球囊阀面罩装置或口袋面罩,按培训操作。如有必要,执行心肺复苏。立即用缓慢流动的水冲洗受污染的眼睛。不要催吐。如果发生呕吐,让患者前倾或将其置于左侧(如果可能,头部向下)以保持呼吸道畅通,防止吸入。保持患者安静,维持正常体温。寻求医疗救助。 /毒物A和B/
/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
/SRP:/ 基本治疗:建立专利气道(如有需要,使用口咽或鼻咽气道)。如有必要,进行吸痰。观察呼吸不足的迹象,如有需要,协助通气。通过非循环呼吸面罩以10至15升/分钟的速度给予氧气。监测肺水肿,如有必要,进行治疗……。监测休克,如有必要,进行治疗……。预期癫痫发作,如有必要,进行治疗……。对于眼睛污染,立即用水冲洗眼睛。在运输过程中,用0.9%的生理盐水(NS)持续冲洗每只眼睛……。不要使用催吐剂。对于摄入,如果患者能够吞咽、有强烈的干呕反射且不流口水,则用温水冲洗口腔,并给予5毫升/千克,最多200毫升的水进行稀释……。在去污后,用干燥的无菌敷料覆盖皮肤烧伤……。/毒药A和B/
/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 解毒与急救
/SRP:/ 高级治疗:对于昏迷、严重肺水肿或严重呼吸困难的病人,考虑进行口咽或鼻咽气管插管以控制气道。使用气囊面罩装置的正压通气技术可能有益。考虑使用药物治疗肺水肿……。对于严重的支气管痉挛,考虑给予β激动剂,如沙丁胺醇……。监测心率和必要时治疗心律失常……。开始静脉输注D5W /SRP: "保持开放",最小流量/。如果出现低血容量的迹象,使用0.9%的生理盐水(NS)或乳酸林格氏液。对于伴有低血容量迹象的低血压,谨慎给予液体。注意液体过载的迹象……。使用地西泮或劳拉西泮治疗癫痫……。使用丙美卡因氢氯化物协助眼部冲洗……。 /毒物A和B/
/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
实验室动物:急性暴露/ 双(三氯甲基)磺酰(生物杀灭剂N-1386)对雄性大鼠的口服LD50为691毫克/千克。处理后1-5天内发生死亡,并观察到提示抗胆碱酯酶效应的毒性迹象。然而,在单次口服500毫克/千克的剂量后2、4或24小时内,既没有抑制血浆胆碱酯酶也没有抑制脑乙酰胆碱酯酶。阿托品(300毫克/千克,皮下注射)或东莨菪碱(670毫克/千克,皮下注射)预处理并未防止双(三氯甲基)磺酰的急性致死性,尽管两种预处理均减轻了毒性迹象。双(三氯甲基)磺酰在体外抑制了大鼠血浆胆碱酯酶和脑乙酰胆碱酯酶。在大脑中,这种抑制是竞争性的。这两种酶的IC50值分别为血浆8微摩尔和大脑25微摩尔。总结来说,双(三氯甲基)磺酰在体外产生了在体内未展示的胆碱酯酶抑制。减轻许多毒性症状的抗胆碱能化合物的剂量并未防止双(三氯甲基)磺酰产生的致死性。
/LABORATORY ANIMALS: Acute Exposure/ The oral LD50 for bis(trichloromethyl) sulfone (N-1386 Biocide) in male rats was 691 mg/kg. Deaths occurred 1-5 days after treatment and signs of toxicity suggestive of an anticholinesterase effect were noted. However, neither plasma cholinesterase nor brain acetylcholinesterase was inhibited 2, 4 or 24 hours after a single, oral dose of 500 mg/kg. Atropine (300 mg/kg, sc) or scopolamine (670 mg/kg, sc) pretreatments did not protect against the acute lethality of bis(trichloromethyl) sulfone although signs of toxicity were alleviated by both pretreatments. Bis(trichloromethyl) sulfone produced in vitro inhibition of rat plasma cholinesterase and brain acetylcholinesterase. The inhibition was competitive in brain. IC50's for these 2 enzymes were 8 uM in plasma and 25 uM in brain. In summary, bis(trichloromethyl) sulfone produced in vitro cholinesterase inhibition not demonstrated in vivo. Doses of anticholinergic compounds that ameliorated many toxic signs did not protect against lethality produced by bis(trichloromethyl) sulfone.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 非人类毒性摘录
实验动物:急性暴露/ N-1386纯度未说明)以500 mg/kg的剂量通过单次口服灌胃给予成年雄性Sprague-Dawley大鼠(数量未说明)。在给药后2、4和24小时测量了体内血浆和脑胆碱酯酶活性。与未处理的对照组相比,胆碱酯酶的活性没有显著抑制。在体外效应中,在0、5、10和50 uM直接添加到大鼠血浆中进行测量。在50 uM时几乎完全抑制。将N-1386添加到脑匀浆中,浓度为0、1、5或10 uM。在5和10 uM时存在浓度依赖性抑制。研究了抗胆碱能药物(阿托品和东莨菪碱)在N-1386治疗(505、600、713、848或1,008 mg/kg)前立即给予10只/组雄性大鼠对死亡率的影响。两种化合物都没有显著增加LD50或死亡时间。然而,阿托品确实减少了腹泻的发生率,而东莨菪碱减少了腹泻和行为抑郁的发生率。
/LABORATORY ANIMALS: Acute Exposure/ N-1386 purity not stated) at a dose of 500 mg/kg was administered via a single oral gavage to male adult Sprague-Dawley rats (number not stated). In vivo plasma and brain cholinesterase activity were measured 2, 4 and 24 hours after dosing. There was no significant inhibition of either cholinesterase compared with untreated controls. In vitro effects were measured at 0, 5, 10 and 50 uM added directly to rat plasma. There was almost complete inhibition at 50 uM. N- 1386 was added to brain homogenates at 0, 1, 5 or 10 uM. There was a concentration dependent inhibition at 5 and 10 uM. The effect of anti-cholinergic drugs (atropine and scopolamine) on mortality when administered just prior to N-1386 treatment (505, 600, 713, 848 or 1,008 mg/kg) to 10 male rats/group was studied. Neither compound significantly increased the LD50 or the time to death. Atropine did, however, reduce the incidence of diarrhea and scopolamine reduced the incidence of both diarrhea and behavioral depression.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 海关编码:
    2904909090
  • 储存条件:
    库房应保持通风、低温和干燥,并将物品与其他氧化剂和酸类分开存放。

SDS

SDS:e9008f903128956af0fa5d739e0a7fc0
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制备方法与用途

用途:Bis(trichloromethyl)sulfone、(Hexachlorodimethyl sulfone) 和 1,2-Dibromo-2,4-dicyanobutane 的组合显示出协同抗菌特性。这些化合物可与第三种微生物杀灭剂一起使用,以增强其广泛对抗细菌、霉菌、酵母和其他微生物的有效性。

类别:农药

毒性分级:高毒

急性毒性

  • 口服 - 大鼠 LD50: 691 毫克/公斤
  • 静脉 - 小鼠 LD50: 18 毫克/公斤

可燃性危险特性:受热分解释放有毒硫氧化物和氯化物烟雾

储运特性

  • 库房通风、低温干燥
  • 与氧化剂、酸类分开存放

灭火剂:水,干粉、干砂、二氧化碳、泡沫、1211 灭火剂

反应信息

  • 作为反应物:
    描述:
    二(三氯甲)砜sodium hydroxide 作用下, 生成 Pentachlorodimethylsulfone
    参考文献:
    名称:
    Identification of a soil metabolite of bis(trichloromethyl) sulfone by HPLC/thermospray mass spectrometry
    摘要:
    DOI:
    10.1007/bf00200685
  • 作为产物:
    描述:
    二甲基砜sodium hypochlorite羟基乙酸 作用下, 以 为溶剂, 反应 8.0h, 以95.8%的产率得到二(三氯甲)砜
    参考文献:
    名称:
    新型杀菌剂六氯二甲基砜的制备
    摘要:
    本发明的目的在于提供一种新型杀菌剂六氯二甲基砜的制备方法,一种新型杀菌剂六氯二甲基砜,是由二甲基砜通过氯化剂的氯化制得,过程用pH调节剂控制反应体系pH值。氯化剂、二甲基砜、pH调节剂的质量比为40~80、10~20、1~10。六氯二甲基砜可有效地控制藻类的生长、细菌和真菌的滋生,可用于冷却水系统、废水处理系统、纸浆和白水系统、采油系统等工业生产,具有广谱高效低毒的特点。制备过程采用常压操作,无需催化剂,原料易得价格便宜,合成方法生成物产率高,合成工艺简单。
    公开号:
    CN105541677A
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文献信息

  • PHYTOSANITARY COMPOSITIONS COMPRISING AN ETHER-AMIDE COMPOUND
    申请人:RHODIA OPERATIONS
    公开号:US20150208645A1
    公开(公告)日:2015-07-30
    The object of the present invention is phytosanitary compositions comprising an active phytosanitary product and an ether-amide compound. The ether-amide compound may natively be present as a solvent, co-solvent, crystallization inhibitor or an agent for increasing bioactivity of the active phytosanitary product.
    本发明的对象是包括活性植物保健产品和醚酰胺化合物的植物保健组合物。该醚酰胺化合物可以作为溶剂、共溶剂、结晶抑制剂或用于增加活性植物保健产品生物活性的剂。
  • Alkoxy disulfides as antimicrobial agents
    申请人:ROHM AND HAAS COMPANY
    公开号:EP1008296A1
    公开(公告)日:2000-06-14
    Disclosed is a method of inhibiting the growth of microorganisms in, at, or on a locus subject to microbial attack, comprising introducing to said locus an antimicrobially effective amount of at least one alkoxy disulfide of formula:R1-CHR3-O-S-S-O-CHR4-R2 wherein: R1, R2are independently selected from 5- or 6-membered aromatic rings, optionally substituted with up to 3 e· donating substituents of which 2 can optionally be combined to form another ring; and R3, R4are independently selected from H, CH3, or CH2CH3.
    揭示了一种抑制微生物在受微生物攻击的位置生长的方法,包括向该位置引入至少一种符合以下式的烷氧基二硫化物的抗微生物有效量:R1-CHR3-O-S-S-O-CHR4-R2其中:R1,R2分别选自5-或6-成员芳香环,可选择地取代多达3个e·供体取代基,其中2个可选择地结合形成另一个环;而R3,R4分别选自H,CH3或CH2CH3。
  • [EN] COMPOSITIONS HAVING PESTICIDAL UTILITY AND PROCESSES RELATED THERETO<br/>[FR] COMPOSITIONS AYANT UNE UTILITÉ PESTICIDE ET PROCÉDÉS ASSOCIÉS
    申请人:DOW AGROSCIENCES LLC
    公开号:WO2021158455A1
    公开(公告)日:2021-08-12
    This disclosure relates to the field of molecules having pesticidal utility against pests in Phyla Arthropoda, Mollusca, and Nematoda, processes to produce such molecules, pesticidal compositions containing such molecules, and processes of using such pesticidal compositions against such pests. These pesticidal compositions may be used, for example, as acaricides, insecticides, miticides, molluscicides, and nematicides. This document discloses a molecule having the following formula and mixtures thereof.
    这项披露涉及具有对节肢动物门、软体动物门和线虫门害虫具有杀虫效用的分子领域,生产此类分子的过程,含有此类分子的杀虫剂组合物,以及使用此类杀虫剂组合物对抗这些害虫的过程。这些杀虫剂组合物可以用作螨虫剂、杀虫剂、螨虫剂、软体动物杀虫剂和线虫杀虫剂。本文件披露了具有以下化学式及其混合物的分子。
  • Metal complexes, the preparation thereof and use as biocides
    申请人:IMPERIAL CHEMICAL INDUSTRIES PLC
    公开号:EP0392648A1
    公开(公告)日:1990-10-17
    A metal complex of the general formula [R1CSNRO]xM(L)y where R and R1 are optionally substituted hydrocarbyl groups, M is a metal of Group IIIA to VA and IB to VIIB, with the exception of copper, L is a ligand, x has a value of 1 to 3 and y is zero or has a value of up to 4. The complex may be prepared by the reaction of a metal salt with an N-hydroxythiobenzamide. Complexes of this type have anti-microbial properties, and can be used as industrial biocides.
    通用公式[R1CSNRO]xM(L)y的金属配合物,其中R和R1是可选择取代的烃基,M是III A到VA族和IB到VIIB族的金属,但不包括铜,L是配体,x的值为1到3,y为零或最多为4。该配合物可以通过金属盐与N-羟基硫代苯甲酰胺反应制备而成。这种类型的配合物具有抗微生物特性,可用作工业杀菌剂。
  • USE OF MULTIPLE CHARGED CATIONIC COMPOUNDS DERIVED FROM PRIMARY AMINES OR POLYAMINES FOR MICROBIAL FOULING CONTROL IN A WATER SYSTEM
    申请人:ECOLAB USA INC.
    公开号:US20200068885A1
    公开(公告)日:2020-03-05
    Disclosed herein are the methods of using specific di-cationic or multiple charged cationic compounds, which are derived from primary amine or polyamines through an aza-Michael addition with an α, β-unsaturated carbonyl compound or from polyamines through both an aza-Michael addition with an α, β-unsaturated carbonyl compound and a ring-opening reaction with an epoxide, in a fouling control composition to reduce microbial and/biofilm growth in a water system. The disclosed methods or compositions are found to be more effective than those methods or compositions including commonly used single quaternary compounds for reducing microbial or biofilm growth in water systems.
    本文揭示了使用特定的二阳离子或多阳离子化合物的方法,这些化合物通过与α,β-不饱和羰基化合物进行氮杂Michael加成或通过与环氧化合物进行环开反应而来自于初级胺或多胺。这些化合物可用于防污控制组合物中,以减少水系统中的微生物和/或生物膜生长。揭示的方法或组合物比包括常用单季铵化合物的方法或组合物更有效,用于减少水系统中的微生物或生物膜生长。
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