Basic information
- CAS
598-77-6- Standard SMILES
CC(Cl)C(Cl)Cl- InChIKey
GRSQYISVQKPZCW-UHFFFAOYSA-N- Molecular formula
- C3H5Cl3
- Average molar mass
- 147.43 g/mol
- Monoisotopic mass
- 145.945683
Names & identifiers
- Preferred name
- 1,1,2-Trichloropropane
- IUPAC
- 1,1,2-trichloropropane
- English name
- 1,1,2-Trichloropropane
- Molecular formula
- C3H5Cl3
- Molecular weight
- 147.43
Names & synonyms
1,1,2-TRICHLOROPROPANE598-77-6Propane, 1,1,2-trichloro-DTXSID3024362U085TG80D1DTXCID604362RefChem:70909209-951-8MFCD000188642-Chloropropylidene ChlorideBRN 1731988EINECS 209-951-8
Show more names
Trichloropropanetech1,1,2-trichloro-propanPropane,1,1,2-trichloro-1,1,2-Trichloropropane >2-CHLOROPROPYLIDENE CHLORIDE(R,S)-1,1,2-trichloropropane(R,S)-1,1,2-trichloro-propane(R,S)-propane,1,1,2-trichloro-
UNII-U085TG80D1112-TrichloropropaneHCC 260DBSCHEMBL578549SCHEMBL868495SCHEMBL8759848CHEMBL3183042SCHEMBL11395942
Database identifiers
- CAS
598-77-6- PubChem CID
- 11733
- DTXSID
DTXSID3024362- ChEMBL
CHEMBL3183042- UNII
- U085TG80D1
- EC Number
- 209-951-8
- Nikkaji
- J35.472D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 35
Experimental & physicochemical properties
Kovats Retention Index827；827
Physicochemical properties
- Melting point
- -36.84 °C · -36.84°C (estimate)
- Boiling point
- 133 °C · 133 °C
- Density
- 1.35 · 1.35
- refractive index
- 1.467 · 1.4670-1.4700
- form
- clear liquid
- color
- Colorless to Almost colorless
- Henry's Law Constant
- 3.1 · 3.1×10-2 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 85 TG80D1 · U085TG80D1
- EPA Substance Registry System
- 1 · 1,1,2-Trichloropropane (598-77-6)
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H302
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P403+P235-P501
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 26 · 26-36/37/39
- RIDADR
- 1993 · 1993
- RTECS
- 8925000 · TZ8925000
- TSCA
- TSCA listed
- HS Code
- 2903.19 · 2903.19.6050
- HazardClass
- 3 · 3
- PackingGroup
- III
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 1230 mg/kg AMIHBC 10,61,54
Safety & regulation
GHS classification
GHS Classification
Danger
H225 (50%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]；H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H331 (100%): Toxic if inhaled [Danger Acute toxicity, inhalation]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)；Acute Tox. 4 (100%)；Acute Tox. 3 (100%)
Toxicology
Target OrgansEndocrine；Hepatic；Urinary
EPA IRIS Information
1,1,2-Trichloropropane
Endocrine；Hepatic；Urinary
5 x 10 ^-3 mg/kg-day
RAIS Toxicity Values
0.005
IRIS Current
0.01
PPRTV Current
EPA Provisional Peer-Reviewed Toxicity Values
1,1,2-Trichloropropane
1 x 10^-2 mg/kg-day
PDF Document
Inadequate information to assess carcinogenic potential
2012
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
3.90e+02
5.80e+03
8.80e+01
5.00e+01
3.50e-02
5.00e-03
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
1.20e+03
1.80e+04
2.70e+02
5.00e+01
5.00e-03
Volatile
Safety data
- tsca
- TSCA listed
- rtecs
- TZ8925000
- ridadr
- 1993
- hs_code
- 2903.19.6050
- Toxicity
- LD50 orl-rat: 1230 mg/kg AMIHBC 10,61,54
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- safety_code
- 26-36/37/39
- hazard_class
- 3
- packing_group
- III
- Hazard statements
- H226-H302
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P264-P270-P280-P301+P312+P330-P303+P361+P353-P403+P235-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropane, 1,1,2-trichloro-: ACTIVE
Upstream & downstream products
Downstream products
Suppliers46 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
北京奥秘佳得医药科技有限公司+86-13522808617 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海安谱实验科技股份有限公司18502138905 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
天门恒昌化工有限公司027-59322316 15172518801 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]
Related reactions
1 records
Compound notes
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