异硫氰酸苯酯

【用途一】
是常见的有机合成原料
【用途二】
用于制药工业和有机合成。
【用途三】
有机分析检定伯胺和腈类。肽顺序研究。用于制药工业和有机合成。

[ 密度 ]:
1.0±0.1 g/cm3

[ 沸点 ]:
221.0±9.0 °C at 760 mmHg

[ 熔点 ]:
−21 °C(lit.)

[ 分子式 ]:
C₇H₅NS

[ 分子量 ]:
135.186

[ 闪点 ]:
87.8±0.0 °C

[ 精确质量 ]:
135.014267

[ PSA ]:
44.45000

[ LogP ]:
3.24

[ 外观性状 ]:
无色至淡黄色液体带有一种渗透的气味

[ 蒸汽压 ]:
0.2±0.4 mmHg at 25°C

[ 折射率 ]:
1.571

[ 储存条件 ]:
库房通风低温干燥,与氧化剂、酸类、食品添加剂分开存放

[ 稳定性 ]:
Stable. Combustible. Incompatible with strong oxidizing agents, strong acids.

[ 水溶解性 ]:
可溶于：醇,乙醚

详细MSDS(安全技术说明书)

CHEMICAL IDENTIFICATION

RTECS NUMBER :

NX9275000

CHEMICAL NAME :

Isothiocyanic acid, phenyl ester

CAS REGISTRY NUMBER :

103-72-0

BEILSTEIN REFERENCE NO. :

0471392

LAST UPDATED :

199710

DATA ITEMS CITED :

11

MOLECULAR FORMULA :

C7-H5-N-S

MOLECULAR WEIGHT :

135.19

WISWESSER LINE NOTATION :

SCNR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :

LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - rat

DOSE/DURATION :

150 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Oral

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

87 mg/kg

TOXIC EFFECTS :

Kidney, Ureter, Bladder - urine volume increased

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Intraperitoneal

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

100 mg/kg

TOXIC EFFECTS :

Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :

LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :

Subcutaneous

SPECIES OBSERVED :

Rodent - mouse

DOSE/DURATION :

250 mg/kg

TOXIC EFFECTS :

Behavioral - convulsions or effect on seizure threshold

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

225 mg/kg

SEX/DURATION :

female 6-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - eye/ear Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue)

TYPE OF TEST :

TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :

Subcutaneous

DOSE :

225 mg/kg

SEX/DURATION :

female 6-14 day(s) after conception

TOXIC EFFECTS :

Reproductive - Effects on Embryo or Fetus - extra-embryonic structures (e.g., placenta, umbilical cord) Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus)

TYPE OF TEST :

Mutation test systems - not otherwise specified

MUTATION DATA

TEST SYSTEM :

Mammal - species unspecified

DOSE/DURATION :

800 ug/L

REFERENCE :

MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 300,111,1993 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 83829 No. of Facilities: 21 (estimated) No. of Industries: 1 No. of Occupations: 2 No. of Employees: 166 (estimated)

[ 符号 ]:

GHS05, GHS06, GHS08

[ 信号词 ]:
Danger

[ 危害声明 ]:
H301-H314-H317-H334

[ 警示性声明 ]:
P261-P280-P301 + P310-P305 + P351 + P338-P310

[ 个人防护装备 ]:
Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ 危害码 (欧洲) ]:
T:Toxic;N:Dangerousfortheenvironment;

[ 风险声明 (欧洲) ]:
R23/24/25;R34;R42/43;R63

[ 安全声明 (欧洲) ]:
S9-S16-S29-S33-S60-S61-S62-S36-S26-S23-S45-S36/37/39

[ 危险品运输编码 ]:
UN 1993 3/PG 2

[ WGK德国 ]:
3

[ RTECS号 ]:
NX9275000

[ 包装等级 ]:
II

[ 危险类别 ]:
6.1

[ 海关编码 ]:
2930909090

详细合成路线

异硫氰酸苯酯上游产品

异硫氰酸苯酯下游产品

1.由二苯硫脲与盐酸反应而得。将二苯硫脲加入盐酸中加热溶解，蒸馏出生成的异硫氰酸苯酯，在馏出的油状物中，加入等体积水洗，分出水层，再用稀碱液洗涤。经大量水洗后，用无水氯化钙干燥，收集120-121℃（4.66kPa），即为成品。

2.由1,3-二苯基硫脲在浓硫酸作用下脱水后得到，也可以在硒催化下，三氯甲基碳酸酯与硫粉、N-苯基甲酰胺反应制备得到。

3.制法：

于装有搅拌器、蒸馏装置的反应瓶中，加入二苯基硫脲（2）1.15kg（5.0mol），25%的盐酸4L，搅拌下加热溶解。而后继续升温，不断蒸出生成的异硫氰酸苯酯。直至无油状物镏出。镏出液中加入等体积的水。分出水层，有机层用稀碱洗涤，再水洗，无水硫酸镁干燥，减压蒸馏，收集120～121℃/4.66kPa的馏分，得异硫氰酸苯酯（1）420g，收率62%。

4.制法：

于装有搅拌器、回流冷凝器、滴液漏斗的反应瓶中，加入浓氨水90mL，冰盐浴冷却下加入纯的二硫化碳54g（0.71mol），而后慢慢滴加苯胺（2）56g（0.71mol），约20min加完。加完后继续搅拌反应30min，并再放置30min。分出生成的盐。将盐转移到5L的反应瓶中，加入800mL水溶解。搅拌下加入由销售铅200g（0.605mol）溶于400mL水配成的溶液，生成硫化铅沉淀。水蒸气蒸馏，接受瓶中放入10mL（0.5mol/L）的稀硫酸。蒸出馏出液约2～3L。分出油层，无水氯化钙干燥，减压蒸馏，收集120～121℃/4.66kPa的馏分，得异硫氰酸苯酯（1）62g，收率76%。[32]

[ 海关编码 ]: 2930909090

[ 中文概述 ]:
2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

[ 申报要素 ]: 品名, 成分含量, 用途

[ Summary ]:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

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公司名：上海化源世纪贸易有限公司

区域：上海市普陀区

价格：

联系人：徐经理

产品详情：异硫氰酸苯酯

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公司名：上海吉至生化科技有限公司

区域：上海市奉贤区

价格：
￥78.0/25g ￥228.0/100g

联系人：刘佳

产品详情：异硫氰酸苯酯

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公司名：上海阿拉丁生化科技股份有限公司

区域：上海市浦东新区

价格：
￥需询单/1mg ￥需询单/1mg ￥需询单/1g ￥需询单/1g

联系人：阿拉丁

产品详情：异硫氰酸苯酯

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