Basic information
- CAS
15499-27-1- Standard SMILES
CCCCc1ccc(Cl)cc1- InChIKey
SKNUPXIXICTRJE-UHFFFAOYSA-N- Molecular formula
- C10H13Cl
- Average molar mass
- 168.66 g/mol
- Monoisotopic mass
- 168.0705781
Names & identifiers
- Preferred name
- Benzene, 1-butyl-4-chloro-
- IUPAC
- 1-butyl-4-chlorobenzene
- English name
- 4-n-Butylchlorobenzene
- Molecular formula
- C10H13Cl
- Molecular weight
- 168.66
Names & synonyms
Benzene, 1-butyl-4-chloro-RefChem:562426604-986-91-Butyl-4-chlorobenzene15499-27-14-N-BUTYLCHLOROBENZENE4-Butylchlorobenzene1-n-Butyl-4-chlorobenzeneMFCD00051926DTXSID90481924-chlorophenylbutaneBenzene, 1-butyl-4-chloro
Show more names
BUTTPARK 31\04-894-Chloro-n-butylbenzene1-(4'-CHLOROPHENYL)BUTANE1-Butyl-4-chlorobenzene >1-Butyl-4-chlorobenzene in isooctane
SCHEMBL53919DTXCID0028167PS-11767CAS-15499-27-1B3143p-ClorobutylbenzeneDIGALACTURONICACID4-n-butyl-chlorobenzene
Database identifiers
- CAS
15499-27-1- PubChem CID
- 524314
- DTXSID
DTXSID9048192- ChEMBL
CHEMBL3186333- EC Number
- 604-986-9
- Nikkaji
- J1.124.980I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Boiling point
- 225 · 225-228°C
- Density
- 1 · 1.00
- refractive index
- 1.5098 · 1.5098
- Flash point
- 225 · 225-228°C
- form
- clear liquid
- color
- Colorless to Light yellow to Light orange
- BRN
- 1860506 · 1860506
- InChI
- 1S/C10H13Cl/c1-2-3-4-9-5-7-10(11)8-6-9/h5-8H,2-4H2,1H3
- InChIKey
- SKNUPXIXICTRJE-UHFFFAOYSA-N
- SMILES
- ClC1=CC=C(CCCC)C=C1
- CAS DataBase Reference
- 15499 · 15499-27-1(CAS DataBase Reference)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 227 · H227-H302
- Precautionary statements
- 210 · P210-P280-P370+P378-P403+P235-P501
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-22
- Safety Statements
- 26 · 26-37
- WGK Germany
- 3 · WGK 3
- Hazard Note
- Irritant
- HS Code
- 2903998090 · 2903998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 Oral · Acute Tox. 4 Oral
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- hs_code
- 2903998090
- risk_code
- 36/37/38-22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 26-37
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H227-H302
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P210-P280-P370+P378-P403+P235-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers34 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [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]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
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TCI Europe320-37350700 · [email protected]
上海恬枫生物科技有限公司18221172427; 18221172427 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海玻尔化学试剂有限公司19102157732 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
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上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
上海康恩博医药科技有限公司400-1388-521 17510465506 · [email protected]
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天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
Aladdin Scientific[email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
9 records
Compound notes
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