2-クロロ-5-ニトロトルエン

Benzene, 1-chloro-2-methyl-4-nitro-

HCID 83315CAS 13290-74-9

基本情報

標準SMILES
Cc1cc([N+](=O)[O-])ccc1Cl
InChIKey
BGDCQZFFNFXYQC-UHFFFAOYSA-N
分子式
C7H6ClNO2
平均分子量
171.58 g/mol
単同位体質量
171.0087061

名称と識別子

優先名称
Benzene, 1-chloro-2-methyl-4-nitro-
IUPAC
1-chloro-2-methyl-4-nitrobenzene
現地名
2-クロロ-5-ニトロトルエン
英語名
2-Chloro-5-nitrotoluene
分子式
C7H6ClNO2
分子量
171.58

名称と別名

2-Chloro-5-nitrotoluene13290-74-91-Chloro-2-methyl-4-nitrobenzeneBenzene, 1-chloro-2-methyl-4-nitro-3-Nitro-6-chlorotolueneEINECS 236-306-82-Methyl-4-nitrochlorobenzeneDTXSID8065402RefChem:562439DTXCID2034122236-306-84-Chloro-3-methylnitrobenzene
名称をさらに表示
2-クロロ-5-ニトロトルエン4-クロロ-3-メチルニトロベンゼン5-ニトロ-2-クロロトルエン4-クロロ-3-メチル-1-ニトロベンゼン1-クロロ-2-メチル-4-ニトロベンゼン2-Chloro-5-nitoro-5-nitrotoLChloronitroluene,98%2-Chloro-5-nitrotoluneToltrazuril Impurity B2-Chloro-5-nitrotoluene >
MFCD000414301-chloro-2-methyl-4-nitro-benzene2-Chloro-5-nitroluene5-Nitro-2-chlorotoluene2-chloro-5-nitro-tolueneSCHEMBL305393SCHEMBL3040448SCHEMBL7759311

データベース識別子

CAS
13290-74-9
PubChem CID
83315
DTXSID
DTXSID8065402
EC Number
236-306-8
Nikkaji
J141.339B

物性

構造計算による物性

XLogP
3.3
極性表面積
45.8 Ų
水素結合供与体数
0
水素結合受容体数
2
回転可能結合数
0
重原子数
11

物理化学的性質

融点
40 · 40-44 °C
沸点
94 · 94-96°C 4mm
比重(密度)
1.3246 · 1.3246 (rough estimate)
屈折率
1.5377 · 1.5377 (estimate)
闪点
94 · 94-96°C/4mm
貯蔵温度
Sealed in dry,Room Temperature

化学的性質

化学的特性white to light yellow crystal powder

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (98.3%): Harmful if swallowed [Warning Acute toxicity, oral];H312 (15.3%): Harmful in contact with skin [Warning Acute toxicity, dermal];H315 (15.3%): Causes skin irritation [Warning Skin corrosion/irritation];H319 (15.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H332 (15.3%): Harmful if inhaled [Warning Acute toxicity, inhalation];H373 (11.9%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 59 reports by companies from 7 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.

危険有害性情報

Regulatory InformationStatus: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26355
Hazard Classes and CategoriesAcute Tox. 4 (98.3%);Acute Tox. 4 (15.3%);Skin Irrit. 2 (15.3%);Eye Irrit. 2 (15.3%);Acute Tox. 4 (15.3%);STOT RE 2 (11.9%)

法規制情報

Regulatory InformationStatus: Active Update: 11-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/26355

安全データ

wgk
3
tsca
TSCA listed
ridadr
UN 3457 6.1/PG 3
hs_code
2902900000
risk_code
22-52/53
化審法
(3)-449

化学と産業

用途と製造

General Manufacturing InformationBenzene, 1-chloro-2-methyl-4-nitro-: INACTIVE

サプライヤー50 社

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
武汉欣扬瑞和化学科技有限公司13720274133 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

関連反応

16 件

関連ノート

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