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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 3607071作成日：2026年11月1日

ニフルチアゾール

2-[4-(5-ニトロ-2-フリル)チアゾール-2-イル]ヒドラジンカルボアルデヒド · ニフルチアゾール · ２－（２－ホルミルヒドラジノ）－４－（５－ニトロ－２－フリル）チアゾール · ２（２ホルミルヒドラジノ）４（５ニトロ２フリル）チアゾル · (2‐ホルミルヒドラジノ)‐4‐(5‐ニトロ‐2‐フリル)チアゾール · N'-[4-(5-ニトロフラン-2-イル)-1,3-チアゾール-2-イル]カルボヒドラジド · (2-ﾎﾙﾐﾙﾋﾄﾞﾗｼﾞﾉ)-4-(5-ﾆﾄﾛ-2-ﾌﾘﾙ)ﾁｱｿﾞｰﾙ · FNT

https://huagongshe.com/ja/chemical/3607071

ニフルチアゾール の分子構造式

識別子と物理属性

CAS No.3570-75-0
分子式C8H6N4O4S
平均分子量254.23 g/mol
単同位体質量254.01097586 g/mol
SMILESO=CNNc1nc(-c2ccc([N+](=O)[O-])o2)cs1
InChIKeyDUWYZHLZDVCZIO-UHFFFAOYSA-N
PubChem CID3607071
ChEMBLCHEMBL84011
ChEBICHEBI:82328
DTXSIDDTXSID6020640
現地名ニフルチアゾール

化学・物理的性質

XLogP1.7
極性表面積141
水素結合供与体数2
水素結合受容体数7
回転可能結合数3
重原子数17
形式電荷0
複雑度300
物質分類Carcinogens
Color/FormBRIGHT YELLOW PLATES
溶解度SOL IN N-BUTANOL, DIMETHYL FORMAMIDE, DIMETHYL SULFOXIDE, ETHANOL & POLYETHYLENE GLYCOL
DecompositionWhen heated to decomposition it emits very toxic fumes of /nitrogen oxide and sulfur oxide/.
融点215.5 °C (DECOMP)215.5°C (rough estimate)
沸点454.8±55.0 °C(Predicted)
密度1.6348 (rough estimate)
屈折率1.6270 (estimate)
pKa（酸解離定数）12.31±0.23(Predicted)
ヘンリー定数1.3×1012 mol/(m3Pa) at 25℃, HSDB (2015)
EPAの化学物質情報Nifurthiazole (3570-75-0)

安全性と法規制

GHS 分類WarningH351: Suspected of causing cancer [Warning Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)H302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)
規制情報Hazard Traits - CarcinogenicityThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and CategoriesAcute toxicity (Oral) - Category 4Carcinogenicity - Category 2Carcinogens
Shipment Methods and RegulationsPRECAUTIONS FOR "CARCINOGENS": Procurement ... of unduly large amt ... should be avoided. To avoid spilling, carcinogens should be transported in securely sealed glass bottles or ampules, which should themselves be placed inside strong screw-cap or snap-top container that will not open when dropped & will resist attack from the carcinogen. Both bottle & the outside container should be appropriately labelled. ... National post offices, railway companies, road haulage companies & airlines have regulations governing transport of hazardous materials. These authorities should be consulted before ... material is shipped. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": When no regulations exist, the following procedure must be adopted. The carcinogen should be enclosed in a securely sealed, watertight container (primary container), which should be enclosed in a second, unbreakable, leakproof container that will withstand chem attack from the carcinogen (secondary container). The space between primary & secondary container should be filled with absorbent material, which would withstand chem attack from the carcinogen & is sufficient to absorb the entire contents of the primary container in the event of breakage or leakage. Each secondary container should then be enclosed in a strong outer box. The space between the secondary container & the outer box should be filled with an appropriate quantity of shock-absorbent material. Sender should use fastest & most secure form of transport & notify recipient of its departure. If parcel is not received when expected, carrier should be informed so that immediate effort can be made to find it. Traffic schedules should be consulted to avoid ... arrival on weekend or holiday ... /Chemical Carcinogens/

用途

用途

医薬、医薬中間体

使用

Antibacteria.

保管条件PRECAUTIONS FOR "CARCINOGENS": Storage site should be as close as practical to lab in which carcinogens are to be used, so that only small quantities required for ... expt need to be carried. Carcinogens should be kept in only one section of cupboard, an explosion-proof refrigerator or freezer (depending on chemicophysical properties ...) that bears appropriate label. An inventory ... should be kept, showing quantity of carcinogen & date it was acquired ... Facilities for dispensing ... should be contiguous to storage area. /Chemical Carcinogens/
清掃方法PRECAUTIONS FOR "CARCINOGENS": A high-efficiency particulate arrestor (HEPA) or charcoal filters can be used to minimize amt of carcinogen in exhausted air ventilated safety cabinets, lab hoods, glove boxes or animal rooms ... Filter housing that is designed so that used filters can be transferred into plastic bag without contaminating maintenance staff is avail commercially. Filters should be placed in plastic bags immediately after removal ... The plastic bag should be sealed immediately ... The sealed bag should be labelled properly ... Waste liquids ... should be placed or collected in proper containers for disposal. The lid should be secured & the bottles properly labelled. Once filled, bottles should be placed in plastic bag, so that outer surface ... is not contaminated ... The plastic bag should also be sealed & labelled. ... Broken glassware ... should be decontaminated by solvent extraction, by chemical destruction, or in specially designed incinerators. /Chemical Carcinogens/
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.PRECAUTIONS FOR "CARCINOGENS": There is no universal method of disposal that has been proved satisfactory for all carcinogenic compounds & specific methods of chem destruction ... published have not been tested on all kinds of carcinogen-containing waste. ... summary of avail methods & recommendations ... /given/ must be treated as guide only. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Incineration may be only feasible method for disposal of contaminated laboratory waste from biological expt. However, not all incinerators are suitable for this purpose. The most efficient type ... is probably the gas-fired type, in which a first-stage combustion with a less than stoichiometric air:fuel ratio is followed by a second stage with excess air. Some ... are designed to accept ... aqueous & organic-solvent solutions, otherwise it is necessary ... to absorb soln onto suitable combustible material, such as sawdust. Alternatively, chem destruction may be used, esp when small quantities ... are to be destroyed in laboratory. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": HEPA (high-efficiency particulate arrestor) filters ... can be disposed of by incineration. For spent charcoal filters, the adsorbed material can be stripped off at high temp & carcinogenic wastes generated by this treatment conducted to & burned in an incinerator. ... LIQUID WASTE: ... Disposal should be carried out by incineration at temp that ... ensure complete combustion. SOLID WASTE: Carcasses of lab animals, cage litter & misc solid wastes ... should be disposed of by incineration at temp high enough to ensure destruction of chem carcinogens or their metabolites. /Chemical Carcinogens/For more Disposal Methods (Complete) data for NIFURTHIAZOLE (6 total), please visit the HSDB record page.
Preventive MeasuresPRECAUTIONS FOR "CARCINOGENS": Smoking, drinking, eating, storage of food or of food & beverage containers or utensils, & the application of cosmetics should be prohibited in any laboratory. All personnel should remove gloves, if worn, after completion of procedures in which carcinogens have been used. They should ... wash ... hands, preferably using dispensers of liq detergent, & rinse ... thoroughly. Consideration should be given to appropriate methods for cleaning the skin, depending on nature of the contaminant. No standard procedure can be recommended, but the use of organic solvents should be avoided. Safety pipettes should be used for all pipetting. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": In animal laboratory, personnel should remove their outdoor clothes & wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... Clothing should be changed daily but ... discarded immediately if obvious contamination occurs ... /also,/ workers should shower immediately. In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. If gowns are of distinctive color, this is a reminder that they should not be worn outside of lab. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": ... Operations connected with synth & purification ... should be carried out under well-ventilated hood. Analytical procedures ... should be carried out with care & vapors evolved during ... procedures should be removed. ... Expert advice should be obtained before existing fume cupboards are used ... & when new fume cupboards are installed. It is desirable that there be means for decreasing the rate of air extraction, so that carcinogenic powders can be handled without ... powder being blown around the hood. Glove boxes should be kept under negative air pressure. Air changes should be adequate, so that concn of vapors of volatile carcinogens will not occur. /Chemical Carcinogens/PRECAUTIONS FOR "CARCINOGENS": Vertical laminar-flow biological safety cabinets may be used for containment of in vitro procedures ... provided that the exhaust air flow is sufficient to provide an inward air flow at the face opening of the cabinet, & contaminated air plenums that are under positive pressure are leak-tight. Horizontal laminar-flow hoods or safety cabinets, where filtered air is blown across the working area towards the operator, should never be used ... Each cabinet or fume cupboard to be used ... should be tested before work is begun (eg, with fume bomb) & label fixed to it, giving date of test & avg air-flow measured. This test should be repeated periodically & after any structural changes. /Chemical Carcinogens/For more Preventive Measures (Complete) data for NIFURTHIAZOLE (9 total), please visit the HSDB record page.
Personal Protective Equipment (PPE)PRECAUTIONS FOR "CARCINOGENS": ... Dispensers of liq detergent /should be available./ ... Safety pipettes should be used for all pipetting. ... In animal laboratory, personnel should ... wear protective suits (preferably disposable, one-piece & close-fitting at ankles & wrists), gloves, hair covering & overshoes. ... In chemical laboratory, gloves & gowns should always be worn ... however, gloves should not be assumed to provide full protection. Carefully fitted masks or respirators may be necessary when working with particulates or gases, & disposable plastic aprons might provide addnl protection. ... Gowns ... /should be/ of distinctive color, this is a reminder that they are not to be worn outside the laboratory. /Chemical Carcinogens/
環境中動態TERRESTRIAL FATE: Based on a recommended classification scheme(1), an estimated Koc value of 238(SRC), determined from a structure estimation method(2), indicates that nifurthiazole is expected to have moderate mobility in soil(SRC). Volatilization of nifurthiazole from moist soil surfaces is not expected to be important(SRC) given an estimated Henry's Law constant of 7.6X10-18 atm-cu m/mole(SRC), using a fragment constant estimation method(3). Nifurthiazole is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 2.3X10-9 mm Hg(SRC), determined from a fragment constant method(4).AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 238(SRC), determined from a structure estimation method(2), indicates that nifurthiazole is expected to adsorb very little to suspended solids and sediment in water(SRC). Nifurthiazole will be essentially non-volatile from water surfaces(3,SRC) based on an estimated Henry's Law constant of 7.6X10-18 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). According to a classification scheme(5), an estimated BCF of 3.3(3,SRC), from an estimated log Kow of 0.99(6,SRC), suggests that bioconcentration in aquatic organisms is low(SRC). Biodegradation data for nifurthiazole are not found(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), nifurthiazole, which has an estimated vapor pressure of 2.3X10-9 mm Hg at 25 °C(2,SRC), is expected to exist solely in the particulate phase in the ambient atmosphere. Vapor-phase nifurthiazole is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be about 22 hours(3,SRC). Particulate-phase nifurthiazole may be physically removed from the air by wet and dry deposition(SRC). Biodegradation data for nifurthiazole is not readily available(SRC).
Medical SurveillancePRECAUTIONS FOR "CARCINOGENS": Whenever medical surveillance is indicated, in particular when exposure to a carcinogen has occurred, ad hoc decisions should be taken concerning ... /cytogenetic and/or other/ tests that might become useful or mandatory. /Chemical Carcinogens/
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for nifurthiazole can be estimated to be about 238(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that nifurthiazole is expected to have moderate mobility in soil(SRC). Rf values for nifurthiazole were determined using Thin Layer Chromatography and mixtures of chloroform:methanol (9:1), acetonitrile:ammonium hydroxide:water (10:3:0.5), and chloroform:methanol:formic acid (6.5:3:0.5). The Rf values were determined to be 0.36, 0.76, and 0.81, respectively. According to a classification scheme(3), these values suggest that nifurthiazole will be moderately mobile in soil(SRC).
Natural Pollution SourcesNifurthiazole is not known to occur in nature(1).
Artificial Pollution SourcesNo evidence was found that nifurthiazole has ever been produced commercially in the US, Western Europe, or Japan(1).
Environmental BiodegradationBiodegradation data for nifurthiazole are not found. (SRC)
Carcinogen Classification2-(2-Formylhydrazino)-4-(5-nitro-2-furyl)thiazoleGroup 2B: Possibly carcinogenic to humansVolume 7: (1974) Some Anti-thyroid and Related Substances, Nitrofurans and Industrial Chemicals1987
Environmental BioconcentrationAn estimated BCF of 3.3 was calculated for nifurthiazole(SRC), using an estimated log Kow of 0.99(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF suggests that bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilThe Henry's Law constant for nifurthiazole is estimated as 7.6X10-18 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that nifurthiazole will be essentially nonvolatile from water surfaces(2,SRC). Nifurthiazole's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces will not occur(SRC). Nifurthiazole is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 2.3X10-9 mm Hg(SRC), determined from a fragment constant method(3).
Non-Human Toxicity ExcerptsTHIRTY MALE & 30 FEMALE WEANLING SPRAGUE-DAWLEY & 30 FEMALE WEANLING BUFFALO RATS WERE FED DIET CONTAINING 2000 PPM FOR 46 WK FOLLOWED BY CONTROL DIET...AN ADDITIONAL 18 WK... OF THE 29 MALE SPRAGUE-DAWLEY RATS, ALL DEVELOPED A TOTAL OF 49 TUMORS INCL 8 BENIGN MAMMARY TUMORS...7 BENIGN & 14 MALIGNANT RENAL TUBULAR TUMORS, 5 TRANSITIONAL-CELL CARCINOMAS OF RENAL PELVIS, 1 RENAL FIBROMA, 10 HEPATIC CYSTIC ADENOMAS & 4 HEPATOCELLULAR CARCINOMAS. THE 26 FEMALE SPRAGUE-DAWLEY RATS ALL DEVELOPED TOTAL OF 68 TUMORS INCL 9 BENIGN & 16 MALIGNANT MAMMARY TUMORS...8 BENIGN & 11 MALIGNANT RENAL TUBULAR TUMORS, 9 HEPATIC CYSTIC ADENOMAS... 29 FEMALE BUFFALO RATS ALL DEVELOPED A TOTAL OF 68 TUMORS INCL 6 BENIGN & 22 MALIGNANT MAMMARY TUMORS...5 BENIGN & 10 MALIGNANT RENAL TUBULAR TUMORS, 4 TRANSITIONAL-CELL CARCINOMAS OF RENAL PELVIS, 11 HEPATIC CYSTIC ADENOMAS, 4 LYMPHOCYTIC LEUKEMIAS & 6 TUMORS AT OTHER SITES. TWO BENIGN MAMMARY TUMORS WERE PRESENT IN 29 FEMALE SPRAGUE-DAWLEY CONTROLS, WHILE NO TUMORS...FOUND IN 29 MALE CONTROLS NOR IN THE 30 FEMALE BUFFALO CONTROL RATS.A GROUP OF 50 5-WK OLD FEMALE SWISS MICE WAS FED A DIET CONTAINING 1000 PPM...FOR 13 WK. ...THE CONTROL DIET WAS THEN FED FOR...17 WK, AFTER WHICH A DIET CONTAINING 1000 PPM FNT WAS FED FOR ADDITIONAL 16 WK, FOLLOWED AGAIN BY CONTROL DIET FOR 7 WK. MEAN TOTAL CONSUMPTION OF FNT WAS 1.2 G/MOUSE. ... OF 22 TREATED.../MICE/ THAT SURVIVED FOR 18 WK OR MORE, ALL DEVELOPED TUMORS, THE TOTAL BEING 58 & INCL 14 SQUAMOUS-CELL CARCINOMAS OF THE STOMACH, 4 MIXED SQUAMOUS-CELL & ADENOCARCINOMAS OF STOMACH, 3 ADENOCARCINOMAS OF STOMACH, 9 PULMONARY ALVEOLAR-CELL CARCINOMAS, 7 MAMMARY ADENOCARCINOMAS, 19 GENERALIZED LEUKEMIAS, 2 TUMORS AT OTHER SITES. FORESTOMACH TUMORS FREQUENTLY METASTASIZED TO VISCERAL PERITONEUM, LIVER & LUNGS. OF 44 CONTROL MICE THAT SURVIVED...1 HAD PULMONARY ALVEOLAR-CELL CARCINOMA & 15 HAD LEUKEMIAHOWEVER, THE INCIDENCES OF THESE TUMORS IN TREATED ANIMALS WERE SIGNIFICANT...A GROUP OF 24 WEANLING MALE SYRIAN GOLDEN HAMSTERS WAS FED A DIET CONTAINING 1000 PPM FNT FOR 48 WK, FOLLOWED BY THE CONTROL DIET FOR ADDITIONAL 22 WK (TOTAL DOSE 2.7 G, 10.8 MMOLES). ALL OF 24 HAMSTERS SURVIVING 6 OR MORE WK DEVELOPED TUMORS, THE TOTAL BEING 29 & INCLUDING 13 FORESTOMACH PAPILLOMAS, 9 URINARY BLADDER TRANSITIONAL-CELL CARCINOMAS, 6 ADRENAL ADENOMAS & 1 RENAL PELVIS TRANSITIONAL-CELL CARCINOMA. ONE ADRENAL ADENOMA WAS PRESENT AMONG 24 UNTREATED CONTROLS.A diet containing 500 ppm FNT was fed to 30 5-week old female Swiss mice for 33 weeks (total dose, 710 mg/mouse) followed by the control diet for an additional 19 weeks. Of 20 treated mice that survived for 10 or more weeks, 19 developed a total of 24 tumors including 11 papillomas and 1 carcinoma of the forestomach, 2 pulmonary alveolar-cell carcinomas and 10 lymphocytic leukemias (p < 0.001, leukemia being present in 2/29 control mice surviving for 10 or more weeks). Twenty-two of the control mice survived for more than 50 weeks.For more Non-Human Toxicity Excerpts (Complete) data for NIFURTHIAZOLE (6 total), please visit the HSDB record page.
Evidence for CarcinogenicityNo data are available in humans. Sufficient evidence of carcinogenicity in animals. OVERALL EVALUATION: Group 2B: The agent is possibly carcinogenic to humans.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of nifurthiazole with photochemically-produced hydroxyl radicals has been estimated as 1.7X10-11 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1,SRC). This corresponds to an atmospheric half-life of about 22 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1,SRC). Nifurthiazole is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3).
毒性LD50 oral in mouse: 1400mg/kg
有害物質データ3570-75-0(Hazardous Substances Data)