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ferbam | 14484-64-1

中文名称
——
中文别名
——
英文名称
ferbam
英文别名
ferric dimethyl dithiocarbamate;Fermate;N,N-dimethylcarbamodithioate;iron(3+)
ferbam化学式
CAS
14484-64-1
化学式
C9H18FeN3S6
mdl
——
分子量
416.505
InChiKey
WHDGWKAJBYRJJL-UHFFFAOYSA-K
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:
    180°C (dec.)
  • 密度:
    0.21[at 20℃]
  • 溶解度:
    二甲基亚砜(微溶)
  • 暴露限值:
    NIOSH 10 mg/m3, IDLH 800 mg/m3; OSHA PEL: TWA 15 mg/m3; ACGIH TLV: TWA 10 mg/m3.
  • LogP:
    -1.597 at 20℃
  • 物理描述:
    Ferbam is a dark brown to black odorless solid. Used as a fungicide. (NIOSH, 2016)
  • 颜色/状态:
    Black or dark-colored fluffy powder
  • 气味:
    Odorless
  • 沸点:
    Decomposes (NIOSH, 2016)
  • 蒸汽压力:
    0 mm Hg (approx) (NIOSH, 2016)
  • 稳定性/保质期:

    Tends to decompose on prolonged storage or exposure to heat and moisture.

  • 分解:
    ...Decomposes above 180 °C
  • 腐蚀性:
    Non-corrosive
  • 电离电位:
    7.72 eV

计算性质

  • 辛醇/水分配系数(LogP):
    3.09
  • 重原子数:
    19
  • 可旋转键数:
    0
  • 环数:
    0.0
  • sp3杂化的碳原子比例:
    0.67
  • 拓扑面积:
    109
  • 氢给体数:
    0
  • 氢受体数:
    6

ADMET

代谢
...给予二甲基-(14)C姆酸,发现43%的放射性物质以二甲胺二甲基二硫氨基甲酸葡萄糖苷酸的形式出现在尿液中...。
...Given dimethyl-(14)C ferbam, 43% of radioactivity was found in urine as dimethylamine and dimethyldithiocarbamate glucuronide... .
来源:Hazardous Substances Data Bank (HSDB)
代谢
接受二苯基二氨基甲酸的大鼠呼出气体的分析表明,唯一的呼出代谢物是二硫化碳。尿液中的代谢物包括无机硫酸盐、二甲胺的盐以及二甲氨基甲酸酯的葡萄糖苷酸结合物。
Analysis of expired air from rats receiving ferbam indicated that the only expired ferbam metabolite was carbon disulfide. Metabolites in urine included inorganic sulfate, a salt of dimethylamine and glucuronide conjugate of dimethyldithiocarbamate.
来源:Hazardous Substances Data Bank (HSDB)
代谢
(35)S和(3)H标记的福美双被给予绵羊。(35)S没有以二硫化碳的形式排出。治疗后76小时,大约12%的(35)S和62%的(3)H已被排出。尽管观察到了许多极性和非极性的代谢物,但没有一个被鉴定出来。TMTD二甲胺均未出现。
(35)S and (3)H labeled ferbam were administered to sheep. The (35)S was not eliminated as carbon disulfide. Seventy six hours post treatment, about 12% of the (35)S and 62% of (3)H had been excreted. Although a number of metabolites, polar and non-polar, were observed, none were identified. Neither TMTD nor dimethylamine were present.
来源:Hazardous Substances Data Bank (HSDB)
代谢
(35)S和(14)C标记的福美双通过口服给药给大鼠。通过胃肠道的吸收后,观察到尿液中(35)S活性(22.7%)、呼出气体(18.1%)、胆汁(1.0%)以及组织中少量存在。当使用(14)C福美双时,发现尿液中(14)C(42.9%)、胆汁(1.4%)、呼出气体(0.6%)以及组织中少量存在。呼出气体中的代谢物被鉴定为二硫化碳。在尿液中,鉴定出了无机硫酸盐、二甲胺盐和二甲氨基甲酸葡萄糖苷酸。
(35)S and (14)C labeled ferbams were administered as an oral dose to rats. After absorption through the gastrointestinal tract, (35)S activity was observed in urine (22.7%), expired air (18.1%), bile (1.O%), and small amounts in tissues. When (14)C ferbam was used, (14)C was found in urine (42.9%, bile (1.4%), expired air (0.6%), and small amounts in tissues. The metabolite in expired air was identified as carbon disulfide. In the urine, inorganic sulfate, a dimethylamine salt, and a dimethyldithiocarbamate glucuronide were identified.
来源:Hazardous Substances Data Bank (HSDB)
代谢
...给予二甲基-(14)C姆酸,发现43%的放射性以二甲胺二甲基二硫氨基甲酸葡萄糖苷酸的形式出现在尿液中...。
...Given dimethyl-(14)C ferbam, 43% of radioactivity was found in urine as dimethylamine and dimethyldithiocarbamate glucuronide... .
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
致癌性分类:1)人类证据:无足够数据;2)动物证据:数据不足。对人类致癌风险的总体评估为第3组:该物质对人类致癌性不可分类。/来自表格/
Classification of carcinogenicity: 1) evidence in humans: No adequate data; 2) evidence in animals: Inadequate data. Overall summary evaluation of carcinogenic risk to humans is Group 3: The agent is not classifiable as to its carcinogenicity to humans. /From table/
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌性证据
A4;不可归类为人类致癌物。
A4; Not classifiable as a human carcinogen.
来源:Hazardous Substances Data Bank (HSDB)
毒理性
  • 致癌物分类
国际癌症研究机构致癌物:福美双
IARC Carcinogenic Agent:Ferbam
来源:International Agency for Research on Cancer (IARC)
毒理性
  • 致癌物分类
国际癌症研究机构(IARC)致癌物分类:第3组:无法归类其对人类致癌性
IARC Carcinogenic Classes:Group 3: Not classifiable as to its carcinogenicity to humans
来源:International Agency for Research on Cancer (IARC)
毒理性
  • 致癌物分类
国际癌症研究机构专论集:第12卷:(1976年)一些氨基甲酸酯、氨基甲酸酯和脒基
IARC Monographs:Volume 12: (1976) Some Carbamates, Thiocarbamates and Carbazides
来源:International Agency for Research on Cancer (IARC)
吸收、分配和排泄
费边(Ferbam)的代谢过程是使用35S标记和14C标记(在甲基碳上)的化合物进行的。查尔斯河雌性大鼠通过单次口服灌胃的方式给予500毫克/千克的35S或14C酸费边。研究了胆汁排泄、血液分布、胎盘转移和乳汁分泌。在给予35S的大鼠中,给药后24小时,粪便、尿液、呼出空气、全血和胆汁中的放射性分别占给药剂量的16.9%、22.7%、18.1%、0.6%和1%。在给予14C的大鼠中,给药后24小时,相同基质中的放射性分别占给药剂量的20.0%、42.9%、0.6%、0.9%和1.4%。全血、肝脏、肾脏、肌肉和大脑的总和约占剂量的3.8%。对呼出空气的分析表明,硫化物中的二硫化碳代表了大于99.9%。还检测到了微量的COS。尿液分析表明有三个费边代谢物:无机硫酸盐、二甲胺离子(二甲胺)和二甲氨基甲酸酯的葡萄糖苷酸。作者得出结论,吸收后,部分二硫化碳随呼出空气排出,其余部分被氧化成无机硫酸盐。他们还推测,一些N,N-二甲基二硫代氨基甲酸酯被完整吸收,然后与葡萄糖酸酐结合。作者推测,费边转化为N,N-二甲基二硫代氨基甲酸酯,然后分解为二乙酰胺和二硫化碳的过程可能发生在肠道中,因为已知费边在酸性条件下会分解为二硫化碳和二乙酰胺。
...The metabolism of Ferbam /was studied/ using 35S-labeled and 14C-labeled (at the methyl carbon) compound. Charles River female rats were given a single 500 mg/kg oral gavage dose of 35S or 14C ferric ferbam. Biliary excretion, blood distribution, placental transfer and milk secretion were studied. In rats dosed with 35S, at 24 hours post dosing, radioactivity in feces, urine, expired air, whole blood and bile amounted to 16.9, 22.7, 18.1, 0.6 and 1% of the applied dose, respectively. In rats dosed with 14C, at 24 hours post dosing, radioactivity in the same matrices amounted to 20.0, 42.9, 0.6, 0.9 and 1.4% of the applied dose, respectively. The total of whole blood, liver, kidneys, muscle and brain amounted to about 3.8% of the dose. Analysis of the expired air indicated that /carbon disulfide/ represented >99.9% of the sulfur containing metabolites in the expired air. A trace of COS was also detected. Analysis of urine indicated three ferbam metabolites: inorganic sulfate, dimethylammonium ion (dimethyl amine) and a glucuronide of /dimethyldithiocarbamide/. The authors concluded that after absorption, some of the /carbon disulfide/ is eliminated in the expired air, while the remainder is oxidized to inorganic sulfate. They also speculated that some of the N,N-dimethyldithiocarbamate is absorbed intact and then conjugated with glucuronic acid. The authors speculated that the conversion of ferbam to N,N-dimethyldithiocarbamate followed by decomposition to diethylamide and /carbon disulfide/ probably takes place in the gut, since ferbam is known to decompose to /carbon disulfide/ and diethylamide under acidic conditions.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
Ferbam似乎不会在大鼠或狗的组织中储存,但是给大鼠喂食Ferbam增加了骨骼中的储存。
Ferbam does not appear to be stored in the tissues of rats or dogs, but feeding of ferbam to rats increased the skeletal stores of iron.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
The disposition and metabolism of ferbam were studied in rats. Male rats weighing 125-275 g, pregnant rats on day 16 of gestation, and lactating rats 6 days post partum were given single oral doses of 500 mg/kg bw spiked with 24 uCi of either 35S- or 14C-labelled compound. The ferbam was suspended in 0.5% carboxymethyl cellulose. After dosing, each male rat was placed in a metabolism cage for examination of feces, urine, and expired air. At termination of the experiment, the rat was sacrificed for analysis of radiolabel. Bile was collected from some of the male rats. Five pups per lactating mother were left for nursing, and the dams and pups were sacrificed 24 hr after dosing. About 40-70% of the dose of labelled ferbam was absorbed through the gastrointestinal tract within the first 24 hr. In rats receiving 35S-ferbam, 23% of the radiolabel was found in urine, 18% in expired air, and 1% in bile; only small amounts were found in tissues, including blood, kidneys, muscle, and brain. In rats receiving 14C-ferbam, 43% of the radiolabel was found in urine and 1.4% in bile, whereas only 0.6% was recovered in expired air. The other tissues contained only small amounts of radiolabel. In the pregnant rats, a small but significant amount of radiolabel readily crossed the placenta into the fetus. In lactating rats, radiolabel was secreted into the milk, absorbed by the pups, and excreted in the pups' urine. ferbam 在大鼠体内的分布和代谢进行了研究。体重为 125-275 克的雄性大鼠、妊娠第 16 天的怀孕大鼠以及分娩后 6 天的哺乳期大鼠单次口服剂量为 500 mg/kg bw,并添加了 24 uCi 的 35S- 或 14C- 标记化合物。将 ferbam 悬浮在 0.5% 羧甲基纤维素中。给药后,每只雄性大鼠被放置在代谢笼中,以检查粪便、尿液和呼出的空气。在实验结束时,大鼠被牺牲以分析放射性标记。从一些雄性大鼠中收集胆汁。每只哺乳期母鼠留下五只幼崽进行哺乳,母鼠和幼崽在给药后 24 小时被牺牲。在大约 40-70% 的标记 ferbam 剂量在最初的 24 小时内通过胃肠道吸收。在接受 35S-ferbam 的大鼠中,23% 的放射性标记在尿液中,18% 在呼出的空气中,1% 在胆汁中;只有少量在组织中,包括血液、肾脏、肌肉和大脑。在接受 14C-ferbam 的大鼠中,43% 的放射性标记在尿液中,1.4% 在胆汁中,而只有 0.6% 在呼出的空气中恢复。其他组织中只含有少量的放射性标记。在怀孕大鼠中,一小部分但显著的放射性标记容易穿过胎盘进入胎儿。在哺乳期大鼠中,放射性标记被分泌到乳汁中,被幼崽吸收,并从幼崽的尿液中排出。
The disposition and metabolism of ferbam were studied in rats. Male rats weighing 125-275 g, pregnant rats on day 16 of gestation, and lactating rats 6 days post partum were given single oral doses of 500 mg/kg bw spiked with 24 uCi of either 35S- or 14C-labelled compound. The ferbam was suspended in 0.5% carboxymethyl cellulose. After dosing, each male rat was placed in a metabolism cage for examination of feces, urine, and expired air. At termination of the experiment, the rat was sacrificed for analysis of radiolabel. Bile was collected from some of the male rats. Five pups per lactating mother were left for nursing, and the dams and pups were sacrificed 24 hr after dosing. About 40-70% of the dose of labelled ferbam was absorbed through the gastrointestinal tract within the first 24 hr. In rats receiving 35S-ferbam, 23% of the radiolabel was found in urine, 18% in expired air, and 1% in bile; only small amounts were found in tissues, including blood, kidneys, muscle, and brain. In rats receiving 14C-ferbam, 43% of the radiolabel was found in urine and 1.4% in bile, whereas only 0.6% was recovered in expired air. The other tissues contained only small amounts of radiolabel. In the pregnant rats, a small but significant amount of radiolabel readily crossed the placenta into the fetus. In lactating rats, radiolabel was secreted into the milk, absorbed by the pups, and excreted in the pups' urine.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
(35)S和(14)C标记的福巴姆通过口服剂量给予大鼠。通过胃肠道的吸收后,观察到尿液中(35)S活性(22.7%)、呼出气体中(18.1%)、胆汁中(1.0%)以及组织中少量存在。当使用(14)C福巴姆时,发现尿液中(14)C(42.9%)、胆汁中(1.4%)、呼出气体中(0.6%)以及组织中少量存在。呼出气体中的代谢物被鉴定为二硫化碳。在尿液中,鉴定出了无机硫酸盐、二甲胺盐和二甲氨基甲酸葡萄糖苷酸。
(35)S and (14)C labeled ferbams were administered as an oral dose to rats. After absorption through the gastrointestinal tract, (35)S activity was observed in urine (22.7%), expired air (18.1%), bile (1.O%), and small amounts in tissues. When (14)C ferbam was used, (14)C was found in urine (42.9%, bile (1.4%), expired air (0.6%), and small amounts in tissues. The metabolite in expired air was identified as carbon disulfide. In the urine, inorganic sulfate, a dimethylamine salt, and a dimethyldithiocarbamate glucuronide were identified.
来源:Hazardous Substances Data Bank (HSDB)
吸收、分配和排泄
费边(Ferbam)的代谢过程是使用35S标记和14C标记(在甲基碳上)的化合物进行的。查尔斯河雌性大鼠通过单次口服灌胃的方式给予500毫克/千克的35S或14C酸费边。研究了胆汁排泄、血液分布、胎盘转移和乳汁分泌。在给予35S的大鼠中,给药后24小时,粪便、尿液、呼出空气、全血和胆汁中的放射性分别占给药剂量的16.9%、22.7%、18.1%、0.6%和1%。在给予14C的大鼠中,给药后24小时,相同基质中的放射性分别占给药剂量的20.0%、42.9%、0.6%、0.9%和1.4%。全血、肝脏、肾脏、肌肉和大脑的总和约占剂量的3.8%。对呼出空气的分析表明,硫化物中的二硫化碳代表了呼出空气中超过99.9%的含代谢物。还检测到了微量的COS。尿液分析表明有三个费边代谢物:无机硫酸盐、二甲离子(二甲胺)和二甲氨基代甲酰胺的葡萄糖苷酸。作者得出结论,吸收后,部分二硫化碳以呼出空气的形式排出,而其余部分被氧化为无机硫酸盐。他们还推测,一些N,N-二甲基二硫代氨基甲酸酯被完整吸收,然后与葡萄糖酸结合。作者推测,费边转化为N,N-二甲基二硫代氨基甲酸酯,然后分解为二乙酰胺和二硫化碳的过程可能发生在肠道中,因为已知费边在酸性条件下会分解为二硫化碳和二乙酰胺。
...The metabolism of Ferbam /was studied/ using 35S-labeled and 14C-labeled (at the methyl carbon) compound. Charles River female rats were given a single 500 mg/kg oral gavage dose of 35S or 14C ferric ferbam. Biliary excretion, blood distribution, placental transfer and milk secretion were studied. In rats dosed with 35S, at 24 hours post dosing, radioactivity in feces, urine, expired air, whole blood and bile amounted to 16.9, 22.7, 18.1, 0.6 and 1% of the applied dose, respectively. In rats dosed with 14C, at 24 hours post dosing, radioactivity in the same matrices amounted to 20.0, 42.9, 0.6, 0.9 and 1.4% of the applied dose, respectively. The total of whole blood, liver, kidneys, muscle and brain amounted to about 3.8% of the dose. Analysis of the expired air indicated that /carbon disulfide/ represented >99.9% of the sulfur containing metabolites in the expired air. A trace of COS was also detected. Analysis of urine indicated three ferbam metabolites: inorganic sulfate, dimethylammonium ion (dimethyl amine) and a glucuronide of /dimethyldithiocarbamide/. The authors concluded that after absorption, some of the /carbon disulfide/ is eliminated in the expired air, while the remainder is oxidized to inorganic sulfate. They also speculated that some of the N,N-dimethyldithiocarbamate is absorbed intact and then conjugated with glucuronic acid. The authors speculated that the conversion of ferbam to N,N-dimethyldithiocarbamate followed by decomposition to diethylamide and /carbon disulfide/ probably takes place in the gut, since ferbam is known to decompose to /carbon disulfide/ and diethylamide under acidic conditions.
来源:Hazardous Substances Data Bank (HSDB)

安全信息

  • 职业暴露等级:
    B
  • 职业暴露限值:
    TWA: 10 mg/m3
  • TSCA:
    Yes
  • 危险等级:
    6.1
  • 立即威胁生命和健康浓度:
    800 mg/m3
  • 危险品标志:
    Xi,N
  • 安全说明:
    S26,S36/37/39,S60,S61
  • 危险类别码:
    R36/37/38,R50/53
  • 海关编码:
    2930200012
  • 危险品运输编号:
    UN3077 9/PG 3
  • WGK Germany:
    3
  • RTECS号:
    NO8750000
  • 包装等级:
    II
  • 危险类别:
    6.1
  • 储存条件:
    库房应保持通风、低温和干燥,并与食品原料分开储运。

SDS

SDS:6140b701d112a72a6ccc9e92cde89dcd
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第一部分:化学品名称
化学品中文名称: 二甲基二硫氨基甲酸;福美
化学品英文名称: Ferric dimethyldithiocarbamate;Ferbam
中文俗名或商品名:
Synonyms:
CAS No.: 14484-64-1
分子式: C 9 H 18 N 3 S 6 ·Fe
分子量: 416.51
第二部分:成分/组成信息
化学品 混合物
化学品名称:二甲基二硫氨基甲酸;福美
有害物成分 含量 CAS No.
二甲基二硫