104-18-7

104-18-7结构式

常用中文名：2-(4-氨基苯基硫基)乙酸
常用英文名：2-(4-AMINOPHENYLTHIO)ACETIC ACID
CAS号：104-18-7
分子式：C₈H₉NO₂S
分子量：183.22800
发布时间：2018-06-09 11:21:08
更新时间：2024-01-06 11:41:07

中文名	2-(4-氨基苯基硫基)乙酸
英文名	2-(4-aminophenylthio)acetic acid
中文别名	(4-氨基苯基硫)乙酸
英文别名	2-(4-aminophenyl)sulfanylacetic acid EINECS 203-182-1 MFCD00025360

密度	1.35g/cm3
沸点	405.3ºC at 760mmHg
熔点	197-203 °C
分子式	C₈H₉NO₂S
分子量	183.22800
闪点	198.9ºC
精确质量	183.03500
PSA	88.62000
LogP	2.02670
外观性状	淡卡其色结晶粉末
蒸汽压	2.69E-07mmHg at 25°C
储存条件	储存于阴凉、通风的库房。远离火种、热源、水源。保持容器密封。应与氧化剂分开存放，切忌混储。配备相应品种和数量的消防器材。储区应备有合适的材料收容泄漏物。
稳定性	避免与氧化物接触。
分子结构	1、摩尔折射率：49.29 2、摩尔体积（cm³/mol）：135.0 3、等张比容（90.2K）：386.2 4、表面张力（dyne/cm）：66.8 5、介电常数： 6、偶极距（10^-24cm³）： 7、极化率：19.54
计算化学	1、疏水参数计算参考值（XlogP）：1.2 2、氢键供体数量：2 3、氢键受体数量：3 4、可旋转化学键数量：3 5、互变异构体数量： 6、拓扑分子极性表面积（TPSA）：63.3 7、重原子数量：12 8、表面电荷：0 9、复杂度：155 10、同位素原子数量：0 11、确定原子立构中心数量：0 12、不确定原子立构中心数量：0 13、确定化学键立构中心数量：0 14、不确定化学键立构中心数量：0 15、共价键单元数量：1
更多	1. 性状：晶体状粉末。 2. 密度（g/mL,20℃）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：197-203 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC, kpa）：未确定 7. 折射率：未确定 8. 闪点（ºC）：未确定 9. 比旋光度（º）：未确定 10. 自燃点或引燃温度（ºC）: 未确定 11. 蒸气压（mmHg,20.2ºC）：未确定 12. 饱和蒸气压（kPa, ºC）：未确定 13. 燃烧热（KJ/mol）：未确定 14. 临界温度（ºC）：未确定 15. 临界压力（KPa）：未确定 16. 油水（辛醇/水）分配系数的对数值：未确定 17. 爆炸上限（%,V/V）：未确定 18. 爆炸下限（%,V/V）：未确定 19. 溶解性：未确定

SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name: 2-(4-Aminophenylthio)acetic acid
REACH No.: A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later

registration deadline.
CAS-No.: 104-18-7
Relevant identified uses of the substance or mixture and uses advised against
Identified uses: Laboratory chemicals, Manufacture of substances

SECTION 2: Hazards identification
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008
Acute toxicity, Oral (Category 3), H301
Respiratory sensitisation (Category 1), H334
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Xn HarmfulR22, R43
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal wordDanger
Hazard statement(s)
H301Toxic if swallowed.
H334May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary statement(s)
P261Avoid breathing dust.
P301 + P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P342 + P311If experiencing respiratory symptoms: Call a POISON CENTER or doctor/
physician.
Supplemental Hazardnone
Statements
Other hazards - none

SECTION 3: Composition/information on ingredients
Substances
Chemical characterization : Natural product
Synonyms: S-(4-Aminophenyl)thioglycolic acid
Formula: C8H9NO2S
Molecular Weight: 183,23 g/mol
CAS-No.: 104-18-7
EC-No.: 203-182-1
Hazardous ingredients according to Regulation (EC) No 1272/2008
ComponentClassificationConcentration
(4-Aminophenylthio)acetic acid
CAS-No.104-18-7Acute Tox. 3; Resp. Sens. 1;<= 100 %
EC-No.203-182-1H301, H334
Hazardous ingredients according to Directive 1999/45/EC
ComponentClassificationConcentration
(4-Aminophenylthio)acetic acid
CAS-No.104-18-7Xn, R22 - R43<= 100 %
EC-No.203-182-1
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

SECTION 4: First aid measures
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
Indication of any immediate medical attention and special treatment needed
no data available

SECTION 5: Firefighting measures
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides, nitrogen oxides (NOx), Sulphur oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

SECTION 6: Accidental release measures
Personal precautions, protective equipment and emergency procedures
Wear respiratory protection. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure
adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

SECTION 7: Handling and storage
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. Air sensitive.
Specific end use(s)
A part from the uses mentioned in section 1.2 no other specific uses are stipulated

SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
the product.
Personal protective equipment
Eye/face protection
Face shield and safety glasses Use equipment for eye protection tested and approved under
appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Full contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
Splash contact
Material: Nitrile rubber
Minimum layer thickness: 0,11 mm
Break through time: 480 min
Material tested:Dermatril® (KCL 740 / Z677272, Size M)
data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374
If used in solution, or mixed with other substances, and under conditions which differ from EN 374,
contact the supplier of the CE approved gloves. This recommendation is advisory only and must
be evaluated by an industrial hygienist and safety officer familiar with the specific situation of
anticipated use by our customers. It should not be construed as offering an approval for any
specific use scenario.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
respirator type N99 (US) or type P2 (EN 143) respirator cartridges as a backup to engineering
controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
respirators and components tested and approved under appropriate government standards such
as NIOSH (US) or CEN (EU).
Control of environmental exposure
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.

SECTION 9: Physical and chemical properties
Information on basic physical and chemical properties
a) AppearanceForm: crystalline
b) Odourno data available
c) Odour Thresholdno data available
d) pHno data available
e) Melting point/freezingMelting point/range: 197 - 203 °C
point
f) Initial boiling point and no data available
boiling range
g) Flash pointno data available
h) Evapouration rateno data available
i) Flammability (solid, gas) no data available
j) Upper/lowerno data available
flammability or
explosive limits
k) Vapour pressureno data available
l) Vapour densityno data available
m) Relative densityno data available
n) Water solubilityno data available
o) Partition coefficient: n- log Pow: 1,29
octanol/water
p) Auto-ignitionno data available
temperature
q) Decompositionno data available
temperature
r) Viscosityno data available
s) Explosive propertiesno data available
t) Oxidizing propertiesno data available
Other safety information
no data available

SECTION 10: Stability and reactivity
Reactivity
no data available
Chemical stability
Stable under recommended storage conditions.
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available
In the event of fire: see section 5

SECTION 11: Toxicological information
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitisation
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC:No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Additional Information
RTECS: Not available

SECTION 12: Ecological information
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
Other adverse effects
no data available

SECTION 13: Disposal considerations
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

SECTION 14: Transport information
UN number
ADR/RID: 2811IMDG: 2811IATA: 2811
UN proper shipping name
ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. ((4-Aminophenylthio)acetic acid)
IMDG: TOXIC SOLID, ORGANIC, N.O.S. ((4-Aminophenylthio)acetic acid)
IATA:Toxic solid, organic, n.o.s. ((4-Aminophenylthio)acetic acid)
Transport hazard class(es)
ADR/RID: 6.1IMDG: 6.1IATA: 6.1
Packaging group
ADR/RID: IIIIMDG: IIIIATA: III
Environmental hazards
ADR/RID: noIMDG Marine pollutant: noIATA: no
Special precautions for user
no data available

SECTION 15 - REGULATORY INFORMATION
N/A

SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对水有稍微的危害。

符号	GHS06, GHS08
信号词	Danger
危害声明	H301-H334
警示性声明	P261-P301 + P310-P342 + P311
个人防护装备	dust mask type N95 (US);Eyeshields;Faceshields;Gloves
危害码 (欧洲)	Xn: Harmful;Xi: Irritant;
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S36/37
危险品运输编码	UN 2811 6.1/PG 3
WGK德国	3